data_1qxf_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 1qxf _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 ' 5' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p90 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.463 0.173 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.87 132.56 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' HG21 ' A' ' 54' ' ' VAL . 14.9 ttmt -94.85 127.0 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 17' ' ' GLN . 4.0 m -127.65 166.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 136.04 42.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.1 t -71.46 128.98 89.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -35.62 3.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.513 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 3.8 m-20 -85.02 -43.1 14.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -75.12 -35.38 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 74.02 6.4 4.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -97.15 151.11 20.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.18 137.53 32.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 8' ' ' VAL . 2.1 mm100 -142.64 160.08 40.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 54' ' ' VAL . 84.3 t -120.38 117.91 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.56 113.68 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.65 139.05 38.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.6 t -56.81 122.71 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pt -65.25 -10.85 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.433 ' N ' HD13 ' A' ' 31' ' ' ILE . 6.3 mm -76.4 -78.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.2 t -96.74 -48.78 5.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.15 32.06 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -89.78 146.65 24.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -61.55 124.61 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.489 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 2.4 m -112.55 -25.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.84 138.54 19.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.403 ' CG2' HG12 ' A' ' 8' ' ' VAL . 4.1 mp -85.02 115.58 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -92.0 39.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 109.22 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.88 162.81 35.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.3 114.73 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.234 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.2 mt -80.99 136.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.12 -63.01 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.25 -170.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -75.37 148.04 39.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.571 0.224 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.91 126.43 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' N ' HG22 ' A' ' 54' ' ' VAL . 16.7 ttmt -91.43 122.78 34.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 46' ' ' ILE . 8.7 m -123.99 167.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -134.08 133.85 41.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 t -70.81 129.55 89.61 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.19 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -29.13 45.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 108.234 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 66.42 7.94 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -98.28 150.93 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -88.22 137.65 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mm100 -142.76 159.06 42.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.98 115.07 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 27' ' ' VAL . 2.0 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 19' ' ' ILE . 59.8 t -101.24 113.59 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -107.16 138.65 42.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.2 t -54.51 122.8 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.64 -11.26 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 31' ' ' ILE . 6.1 mm -77.81 -79.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.78 -51.31 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 108.304 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.39 32.24 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.79 144.42 25.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -60.73 124.86 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.12 -14.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.11 144.85 9.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.2 mp -84.69 120.22 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 41.13 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.26 164.91 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -73.9 111.33 8.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 mt -80.04 141.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.21 -55.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.71 -166.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -77.03 142.97 39.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.532 0.205 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.43 130.38 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -91.92 121.53 33.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 46' ' ' ILE . 6.3 m -120.66 167.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -132.89 134.8 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 3.0 t -71.62 129.38 88.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.14 2.76 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.484 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -83.51 -44.24 14.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.27 -31.91 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 108.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 19.0 mt-10 69.99 6.7 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -97.38 151.17 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.567 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.44 138.11 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.9 mm100 -143.15 159.96 41.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 54' ' ' VAL . 91.5 t -118.86 115.04 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.0 t -102.29 114.22 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -105.21 135.33 46.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.5 t -53.18 135.38 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -77.55 -9.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.409 HD11 ' N ' ' A' ' 31' ' ' ILE . 4.0 mm -80.36 -82.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.2 t -90.42 -53.58 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.33 33.89 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.99 149.84 22.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.215 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -63.84 124.4 21.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.29 -14.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -164.2 137.36 5.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 50' ' ' ILE . 3.8 mt -82.46 114.05 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.29 37.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.74 162.19 38.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.66 118.67 16.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 46' ' ' ILE . 3.6 mt -82.89 140.55 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.3 -58.87 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 -172.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -75.88 148.34 38.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG22 ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.57 0.224 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 p -143.3 128.72 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 54' ' ' VAL . 14.1 ttmt -93.6 127.87 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 46' ' ' ILE . 8.3 m -128.44 167.12 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -134.89 133.61 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.7 t -71.11 129.81 88.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.239 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.35 2.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 5.6 t70 -83.77 -42.05 16.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.25 -29.88 54.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 22.9 mt-10 67.05 7.81 5.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -98.1 150.9 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.651 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -88.76 138.21 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.7 mm100 -145.16 157.43 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.453 ' CG1' HG22 ' A' ' 54' ' ' VAL . 86.4 t -115.75 118.73 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 19' ' ' ILE . 39.8 t -98.1 113.55 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -107.76 140.39 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.1 t -55.59 122.49 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pt -64.97 -11.15 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -77.73 -80.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.1 t -93.04 -51.27 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.07 32.31 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NE ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.77 145.7 25.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -63.2 125.32 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 27' ' ' VAL . 5.2 m -113.81 -19.81 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -164.53 139.51 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.1 mp -85.26 122.22 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.52 40.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.28 165.19 29.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.78 109.85 7.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -78.16 145.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.49 -69.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.89 -170.76 1.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -76.12 145.22 40.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.612 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.482 0.182 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.59 127.4 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' N ' HG21 ' A' ' 54' ' ' VAL . 20.0 ttmt -94.2 122.74 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 46' ' ' ILE . 9.8 m -124.35 167.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -134.27 136.55 43.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 3.0 t -71.43 130.77 87.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.76 2.91 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.439 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -84.44 -42.64 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.29 -31.41 58.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 108.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 28.2 mt-10 68.83 7.94 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -97.18 150.9 20.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -89.4 138.46 31.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.3 mt-30 -142.86 159.04 43.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -119.7 114.49 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -113.84 114.02 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -100.93 141.33 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 t -55.08 122.59 11.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 108.235 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.9 pt -65.96 -10.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 mm -77.76 -77.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.96 -51.59 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.223 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.17 30.84 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NH2' ' OD1' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.64 147.17 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 0.796 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -62.47 124.75 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.35 -34.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -146.25 137.8 24.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.409 1.068 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.476 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.8 mp -85.13 119.03 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -94.15 39.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.378 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.95 165.49 28.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.9 111.82 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.1 mt -82.15 132.03 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.97 -59.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.57 -168.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -75.52 145.41 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p90 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.481 0.182 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.01 130.03 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -94.44 120.54 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.477 HG13 ' CG2' ' A' ' 46' ' ' ILE . 5.3 m -121.79 166.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -135.72 135.17 39.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.521 ' SG ' ' CG1' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -71.08 129.76 88.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.269 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.554 1.818 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.523 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 78.9 m-20 -83.55 -40.94 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -31.01 46.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' CYS . 27.3 mt-10 68.87 8.05 6.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -97.16 150.92 20.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.22 138.49 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.3 mm100 -143.26 160.59 40.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' CG1' HG21 ' A' ' 54' ' ' VAL . 57.7 t -121.63 114.12 41.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.427 HD11 ' CG1' ' A' ' 46' ' ' ILE . 2.0 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.2 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -110.12 114.74 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -103.06 137.24 41.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.476 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.6 t -50.67 138.47 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pt -77.49 -9.97 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 31' ' ' ILE . 5.4 mm -82.82 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -85.59 -55.17 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.08 32.8 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.523 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -90.35 150.24 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 110.198 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -63.33 124.74 22.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.521 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 1.8 m -112.29 -22.57 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.55 137.27 16.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' HG13 ' A' ' 8' ' ' VAL . 4.9 mp -81.92 119.71 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -95.08 42.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.06 165.98 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -73.29 109.81 7.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.234 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.19 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -100.43 -69.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -174.36 -175.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -71.74 143.47 49.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.435 HG21 ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.526 0.203 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.87 127.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 54' ' ' VAL . 22.5 ttmt -92.4 121.64 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 46' ' ' ILE . 9.8 m -122.14 167.55 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -135.5 138.5 43.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 3.9 t -71.56 131.14 86.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.07 -42.39 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.99 -30.54 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 108.309 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 67.94 8.18 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -97.1 150.78 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.578 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -87.96 138.79 31.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.95 154.73 44.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.23 116.9 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.91 118.6 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.33 137.63 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.8 t -52.78 138.22 29.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pt -77.55 -9.99 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.1 mm -79.79 -82.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 t -91.96 -52.79 4.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 133.46 34.91 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.86 146.92 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.03 124.14 20.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 m -113.79 -17.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.83 137.8 11.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.476 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.4 mp -84.65 115.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.22 41.67 1.07 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.32 165.5 28.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -73.81 113.1 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 mt -82.58 139.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.35 -58.69 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.232 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.43 -168.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -75.43 143.99 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.533 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 p90 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.496 0.189 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.56 125.75 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 54' ' ' VAL . 13.7 ttmt -92.28 122.48 34.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' CG2' ' A' ' 46' ' ' ILE . 8.9 m -121.11 167.15 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 21.1 tttt -132.61 137.18 46.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.8 t -71.36 129.29 89.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.32 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.574 1.828 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.22 -42.98 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.25 -39.6 59.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 78.58 6.45 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -97.26 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.545 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.67 138.07 31.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.5 mt-30 -141.92 155.84 45.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -114.2 114.81 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.7 mt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -103.86 113.36 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -107.28 138.05 44.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.06 122.1 10.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -66.8 -10.54 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 31' ' ' ILE . 3.7 mm -77.36 -78.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -95.91 -51.01 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.06 32.28 0.5 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.12 146.21 24.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -62.32 124.91 22.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.44 -20.28 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.43 138.91 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.382 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' CG2' HG11 ' A' ' 8' ' ' VAL . 4.5 mt -82.49 112.24 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 38.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.55 162.8 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.3 118.23 17.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -82.53 140.76 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 1.7 mp -96.91 -50.75 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.28 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -72.52 140.82 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 2.3 p90 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.527 0.203 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.92 129.03 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' N ' HG22 ' A' ' 54' ' ' VAL . 16.1 ttmt -91.41 120.73 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.446 HG21 ' CG1' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -116.06 167.35 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -135.02 133.74 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 2.2 t -70.77 128.44 90.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -35.06 3.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.042 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 3.9 t0 -84.73 -43.77 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.62 -28.35 56.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.3 mt-10 66.67 8.15 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -97.36 151.88 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.627 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.35 138.43 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.04 160.34 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -122.44 114.63 43.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' CG1' HG21 ' A' ' 8' ' ' VAL . 1.5 pp . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' CG2' ' A' ' 36' ' ' VAL . 59.5 t -106.37 113.2 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -106.65 134.92 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.3 t -51.9 122.29 8.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 108.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.98 -11.18 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 31' ' ' ILE . 6.0 mm -78.35 -80.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -91.9 -52.42 4.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.242 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.87 32.66 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.07 147.32 23.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.274 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -64.62 124.29 21.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.47 ' CG2' HG13 ' A' ' 27' ' ' VAL . 4.9 m -114.4 -13.0 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.38 137.87 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 HG22 ' CG1' ' A' ' 8' ' ' VAL . 3.7 mp -84.1 116.53 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 35.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.78 164.91 30.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.09 122.41 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.2 mt -82.2 139.18 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.0 -60.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.1 -168.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -77.88 135.37 37.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.576 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.3 p90 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.468 0.175 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.97 131.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -96.36 120.97 37.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 46' ' ' ILE . 8.6 m -120.53 167.34 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -134.92 137.18 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.6 t -71.04 130.63 87.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.95 3.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -43.63 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.01 -29.46 60.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.1 mt-10 66.62 8.12 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -97.49 151.61 19.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -87.52 138.34 31.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -145.56 146.66 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.04 119.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 t -98.71 113.44 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -109.54 138.78 45.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.2 122.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 108.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 pt -66.91 -10.31 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 31' ' ' ILE . 5.8 mm -77.1 -79.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.1 t -96.14 -50.14 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 108.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.65 32.57 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.6 146.35 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -62.62 124.99 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.437 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 3.6 m -113.04 -29.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.25 138.83 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.347 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.9 mp -85.65 119.01 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.38 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.37 164.4 31.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.78 112.04 9.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 mt -81.68 135.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.9 -57.05 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 171.32 -168.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -75.41 143.09 42.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.0 p90 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.439 0.161 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.11 128.72 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 54' ' ' VAL . 20.8 ttmt -91.99 120.63 32.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 46' ' ' ILE . 6.6 m -118.65 167.36 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 137.81 45.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.5 t -71.43 131.15 86.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.58 3.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -86.25 -43.21 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.24 -29.51 60.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.4 mt-10 66.45 8.39 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -97.25 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.618 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -88.52 138.48 31.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.03 158.28 43.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.14 115.89 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.0 t -107.84 113.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.51 140.15 37.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.9 t -54.63 122.03 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 pt -65.5 -11.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.0 mm -76.19 -77.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.0 t -98.41 -49.42 4.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.02 32.15 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.59 145.73 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -61.41 124.91 21.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.47 -32.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.1 139.31 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.461 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.3 mt -82.31 115.11 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.81 38.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.66 163.1 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.9 121.35 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 46' ' ' ILE . 3.0 mt -86.2 145.93 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.0 mp -101.65 -68.54 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.26 -167.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -79.29 139.15 37.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.483 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.8 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.535 0.207 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.43 125.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.455 ' N ' HG21 ' A' ' 54' ' ' VAL . 15.7 ttmt -93.02 121.15 34.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.48 HG12 ' CG2' ' A' ' 46' ' ' ILE . 10.2 m -121.57 167.06 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -133.71 136.95 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.8 t -71.22 129.8 88.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.95 2.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.3 -42.05 16.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.18 -30.25 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 21.6 mt-10 67.91 7.73 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -97.38 150.77 20.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.578 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -88.43 138.47 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -141.42 160.39 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -121.1 115.47 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.347 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' A' ' 27' ' ' VAL . 2.0 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 19' ' ' ILE . 44.3 t -97.99 113.64 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -105.15 142.12 35.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.8 t -57.18 122.77 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -65.98 -10.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 31' ' ' ILE . 5.3 mm -78.03 -80.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.35 -51.4 5.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 108.384 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.11 32.95 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.462 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.8 146.11 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -64.51 124.98 23.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.427 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.422 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 11.5 m -113.48 -31.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.92 139.37 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.48 ' CG2' HG12 ' A' ' 8' ' ' VAL . 4.0 mp -85.29 119.64 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 40.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.76 165.75 27.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -75.13 109.4 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 51' ' ' ILE . 3.3 mt -76.15 142.73 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.418 ' N ' HG23 ' A' ' 50' ' ' ILE . 1.6 mp -98.67 -57.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -171.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -72.26 139.19 47.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.5 0.191 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.05 126.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 54' ' ' VAL . 16.6 ttmt -93.31 120.65 33.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 46' ' ' ILE . 1.1 m -115.61 166.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -135.41 135.13 40.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.4 t -71.68 127.18 91.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.26 -43.57 17.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.18 -41.98 56.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.314 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 82.56 5.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.224 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -96.92 150.72 20.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -88.01 136.76 32.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.41 157.68 45.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.06 121.79 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.448 HG11 ' CG2' ' A' ' 36' ' ' VAL . 40.1 t -95.49 113.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -107.8 135.54 49.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.4 t -54.45 122.79 11.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.25 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pt -66.18 -10.7 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 31' ' ' ILE . 5.7 mm -77.94 -79.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -93.74 -51.74 4.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.16 32.69 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.88 146.06 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -63.63 123.9 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 4.6 m -114.58 -13.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.88 139.38 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CG2' HG11 ' A' ' 8' ' ' VAL . 3.7 mp -84.89 122.31 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 35.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.67 166.4 25.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.73 117.94 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.07 130.04 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -84.49 -59.56 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.83 -171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -71.05 138.62 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 2.3 p90 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.459 0.171 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.45 125.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -92.57 125.09 37.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -120.29 167.14 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -134.99 131.51 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 t -70.46 128.84 90.83 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.358 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -34.96 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -84.74 -40.53 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -79.63 -29.28 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.365 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' CYS . 9.6 mt-10 66.77 8.86 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -97.27 151.51 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.132 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.78 138.32 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.12 159.69 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 54' ' ' VAL . 60.6 t -123.49 115.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -114.36 115.0 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.53 141.25 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 t -55.13 122.13 10.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -64.29 -11.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.418 HD11 ' N ' ' A' ' 31' ' ' ILE . 4.0 mm -77.33 -79.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.4 t -93.56 -50.76 5.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.262 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.68 31.74 0.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.97 146.61 24.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -65.43 123.86 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.4 -27.33 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.62 137.67 26.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.1 mp -82.19 123.19 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -95.75 38.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.63 168.1 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.36 110.2 7.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.81 136.34 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -89.85 -78.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.17 -174.29 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -71.29 134.0 46.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.464 HG22 ' CG1' ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.459 0.171 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.89 130.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -93.69 121.58 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.458 HG12 ' CG2' ' A' ' 46' ' ' ILE . 5.3 m -118.33 167.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -134.89 135.03 41.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 1.8 t -71.04 130.18 88.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -84.03 -42.65 15.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.76 -29.2 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 66.35 8.29 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -97.66 151.08 20.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.562 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -88.2 138.37 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -144.74 155.89 43.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.17 120.16 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.8 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG11 ' CG2' ' A' ' 36' ' ' VAL . 11.6 t -99.86 113.44 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -107.92 139.91 41.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.4 t -57.11 122.35 12.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -67.17 -10.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -77.62 -80.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 -51.27 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.73 32.71 0.5 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.08 147.72 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 m -65.7 124.71 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.454 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 9.6 m -113.97 -21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.21 139.81 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.458 ' CG2' HG12 ' A' ' 8' ' ' VAL . 4.6 mp -85.06 123.2 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.37 40.92 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.36 165.96 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.69 108.18 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.59 125.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.35 -77.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -167.64 -173.09 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -72.15 142.79 49.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.501 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.511 0.196 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.5 130.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -92.8 120.61 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.455 HG12 ' CG2' ' A' ' 46' ' ' ILE . 5.4 m -117.85 166.86 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -133.38 135.85 44.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.4 t -71.2 130.12 88.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -43.22 13.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.36 -31.47 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 19.3 mt-10 68.88 7.26 6.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -97.28 151.17 20.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.603 1.19 . . . . 0.0 109.553 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -87.76 138.15 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.45 158.7 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.85 118.2 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -105.15 113.94 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -105.48 139.95 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.7 t -58.83 122.47 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -63.36 -10.66 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.449 HD11 ' N ' ' A' ' 31' ' ' ILE . 2.9 mm -74.54 -80.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -98.0 -41.78 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . 122.84 32.89 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.12 144.07 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 0.81 . . . . 0.0 110.234 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.2 m -61.8 125.6 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.473 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 3.5 m -113.91 -20.18 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.87 139.41 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.6 mt -82.97 112.13 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 38.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.68 162.1 38.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.12 119.71 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 51' ' ' ILE . 3.5 mt -83.55 147.38 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 51' ' ' ILE . 1.9 mp -105.53 -52.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 168.71 -169.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.391 1.057 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -75.79 146.54 39.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.531 0.205 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.67 130.62 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -91.9 120.39 32.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 17' ' ' GLN . 13.6 m -117.81 167.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -128.07 135.11 49.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 1.8 t -71.43 129.45 88.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.541 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -84.12 -44.43 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.88 -31.57 61.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 22.1 mt-10 69.6 6.45 5.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -97.48 151.91 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.21 131.12 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -133.01 162.92 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' CG1' HG22 ' A' ' 54' ' ' VAL . 50.6 t -118.98 113.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.4 t -106.5 114.5 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.76 139.86 38.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.4 t -61.93 122.29 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 108.334 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.61 -10.54 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 31' ' ' ILE . 6.5 mm -74.92 -77.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 t -97.78 -48.75 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.236 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 128.95 31.98 0.61 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.15 148.63 22.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.462 0.742 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.4 m -67.87 125.68 27.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 8.1 m -111.39 -20.27 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.3 136.91 15.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.467 HD12 ' CD1' ' A' ' 50' ' ' ILE . 3.5 mt -82.01 110.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 38.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.86 158.36 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.6 121.17 20.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 46' ' ' ILE . 2.5 mt -85.21 145.95 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -105.85 -79.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' A' ' 51' ' ' ILE . 4.0 pt-20 -154.29 -168.56 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.63 147.64 28.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.473 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 p90 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.525 0.202 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.66 126.81 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' N ' HG21 ' A' ' 54' ' ' VAL . 22.5 ttmt -91.67 120.14 32.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.444 HG13 ' CG2' ' A' ' 46' ' ' ILE . 5.5 m -117.65 167.27 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 11.2 tttt -133.97 136.07 43.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 0.9 OUTLIER -70.9 129.99 88.96 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.079 . . . . 0.0 108.346 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.79 -43.81 13.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.53 -31.95 62.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 11.8 mt-10 69.57 7.25 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -96.78 150.81 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.24 138.48 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.1 mt-30 -144.12 153.05 41.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.49 116.39 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.465 ' CG2' HG13 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 19' ' ' ILE . 31.1 t -98.56 113.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.8 t -57.38 122.24 12.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pt -65.97 -11.03 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 31' ' ' ILE . 6.2 mm -75.8 -78.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -96.93 -49.85 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 108.276 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.85 32.01 0.57 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.25 146.95 23.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.346 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 m -63.62 124.97 22.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.451 ' CG2' HG11 ' A' ' 27' ' ' VAL . 3.7 m -112.61 -28.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.89 142.47 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.444 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.9 mp -85.32 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -98.84 36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.48 165.63 28.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.18 115.95 15.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.37 133.97 28.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.8 mp -88.26 -51.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 164.46 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -71.27 137.87 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.443 HG21 ' N ' ' A' ' 7' ' ' LYS . 1.3 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 p90 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.57 126.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' N ' HG21 ' A' ' 54' ' ' VAL . 20.2 ttmt -91.4 121.12 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.446 HG12 ' CG2' ' A' ' 46' ' ' ILE . 10.0 m -120.59 167.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' CB ' HD12 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -131.94 137.29 47.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.6 t -71.16 129.65 88.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -36.29 2.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.426 1.751 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.435 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -83.83 -43.42 15.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.84 -38.95 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 77.76 6.66 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -97.02 151.26 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.83 138.16 31.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.02 156.3 44.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -114.98 114.23 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' CG2' HG13 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.468 HG13 ' CG2' ' A' ' 19' ' ' ILE . 36.3 t -104.64 114.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -104.13 142.94 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.471 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.0 t -58.09 134.89 56.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pt -77.5 -9.76 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 31' ' ' ILE . 7.0 mm -78.62 -81.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.6 t -93.38 -52.34 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.11 34.07 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.488 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.08 150.08 22.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.5 m -68.53 125.54 26.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.431 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 15.3 m -113.38 -32.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.76 138.22 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.3 mt -84.49 112.02 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -92.05 36.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.76 162.33 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -74.79 124.02 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.416 ' CD1' HD13 ' A' ' 46' ' ' ILE . 4.0 mt -87.15 145.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.417 HD12 ' CB ' ' A' ' 9' ' ' LYS . 2.1 mp -101.71 -50.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER 168.01 -171.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.21 140.46 50.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.448 HG21 ' N ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.2 p90 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.496 0.188 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.75 125.84 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' N ' HG23 ' A' ' 54' ' ' VAL . 14.4 ttmt -93.89 120.69 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 46' ' ' ILE . 6.2 m -118.6 167.2 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -134.93 136.72 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' CG1' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -70.9 130.66 88.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.274 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -35.69 3.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -40.73 16.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.51 -30.4 47.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 108.291 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 10.4 mt-10 67.64 8.17 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -97.18 150.84 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.658 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -88.45 138.29 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.73 159.34 42.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.51 119.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.416 ' CG2' HG12 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.416 HG12 ' CG2' ' A' ' 19' ' ' ILE . 17.9 t -100.91 113.64 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -107.43 138.39 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.5 t -56.23 122.38 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.21 -10.99 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.2 mm -78.75 -81.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -90.4 -52.04 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.07 30.92 0.6 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.84 147.32 23.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 0.804 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m -62.22 125.78 25.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.525 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 2.5 m -113.9 -13.12 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.16 138.06 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.479 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.3 mp -84.16 115.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 41.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.5 164.84 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.57 113.7 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 mt -81.2 142.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mp -100.18 -49.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER 160.65 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -72.53 141.17 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.519 0.199 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -90.83 130.05 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.61 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -75.24 149.18 38.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -133.03 169.88 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p90 -98.37 142.24 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.87 132.56 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' HG21 ' A' ' 54' ' ' VAL . 14.9 ttmt -94.85 127.0 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 17' ' ' GLN . 4.0 m -127.65 166.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 136.04 42.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.1 t -71.46 128.98 89.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -35.62 3.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.513 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 3.8 m-20 -85.02 -43.1 14.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -75.12 -35.38 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 74.02 6.4 4.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -97.15 151.11 20.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.18 137.53 32.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 8' ' ' VAL . 2.1 mm100 -142.64 160.08 40.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 54' ' ' VAL . 84.3 t -120.38 117.91 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.5 pt -128.7 166.59 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -83.72 150.55 25.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -83.76 116.53 22.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 109.246 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.414 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 15.4 m80 68.14 64.63 0.63 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.523 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -75.04 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -35.76 4.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.28 160.41 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt -65.59 139.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.56 113.68 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.65 139.05 38.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.6 t -56.81 122.71 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pt -65.25 -10.85 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.433 ' N ' HD13 ' A' ' 31' ' ' ILE . 6.3 mm -76.4 -78.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.2 t -96.74 -48.78 5.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.15 32.06 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -89.78 146.65 24.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -61.55 124.61 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.489 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 2.4 m -112.55 -25.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.84 138.54 19.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.92 138.43 27.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.99 -17.22 19.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 41' ' ' GLY . 12.1 t 39.01 -159.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.422 ' N ' ' OG1' ' A' ' 40' ' ' THR . . . -83.5 89.44 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.15 139.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 100.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.75 144.53 43.77 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -125.33 136.71 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.403 ' CG2' HG12 ' A' ' 8' ' ' VAL . 4.1 mp -85.02 115.58 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -92.0 39.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 109.22 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.88 162.81 35.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.3 114.73 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.234 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.2 mt -80.99 136.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.12 -63.01 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.25 -170.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -75.37 148.04 39.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -99.25 158.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.18 -11.64 49.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.25 88.9 2.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.119 . . . . 0.0 110.227 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 mt -78.82 170.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.167 . . . . 0.0 110.296 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.466 0.174 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -81.91 138.86 34.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 t 61.82 132.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.26 170.24 8.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.456 ' CD2' ' HA ' ' A' ' 57' ' ' ILE . 2.8 p90 -103.11 145.88 29.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.91 126.43 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' N ' HG22 ' A' ' 54' ' ' VAL . 16.7 ttmt -91.43 122.78 34.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 46' ' ' ILE . 8.7 m -123.99 167.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -134.08 133.85 41.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 t -70.81 129.55 89.61 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.19 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -29.13 45.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 108.234 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 66.42 7.94 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -98.28 150.93 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -88.22 137.65 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mm100 -142.76 159.06 42.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.98 115.07 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 27' ' ' VAL . 2.0 pt -124.52 166.59 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -83.15 151.46 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.3 p-10 -86.31 122.28 30.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER 65.4 64.86 0.96 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.596 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -74.98 -171.86 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.772 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.1 p -116.5 -35.06 4.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.19 162.16 13.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.47 139.38 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 19' ' ' ILE . 59.8 t -101.24 113.59 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -107.16 138.65 42.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.2 t -54.51 122.8 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.64 -11.26 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 31' ' ' ILE . 6.1 mm -77.81 -79.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.78 -51.31 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 108.304 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.39 32.24 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.79 144.42 25.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -60.73 124.86 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.12 -14.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.11 144.85 9.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.45 138.16 29.68 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.67 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.3 p 42.59 -163.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.77 55.08 0.65 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.66 -55.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.08 107.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.14 130.21 1.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -125.0 142.92 51.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.2 mp -84.69 120.22 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 41.13 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.26 164.91 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -73.9 111.33 8.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 mt -80.04 141.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.21 -55.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.71 -166.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -77.03 142.97 39.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -86.85 174.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.0 -15.0 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -75.25 91.67 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 ' HA ' ' CD2' ' A' ' 5' ' ' PHE . 19.4 mt -74.69 170.5 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ttm . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.518 0.199 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -87.72 140.02 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.588 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 m -38.76 118.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.63 169.83 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -96.91 140.15 31.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.43 130.38 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -91.92 121.53 33.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 46' ' ' ILE . 6.3 m -120.66 167.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -132.89 134.8 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 3.0 t -71.62 129.38 88.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.14 2.76 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -83.51 -44.24 14.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.27 -31.91 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 108.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 19.0 mt-10 69.99 6.7 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -97.38 151.17 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.567 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.44 138.11 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.9 mm100 -143.15 159.96 41.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 54' ' ' VAL . 91.5 t -118.86 115.04 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pt -132.23 166.39 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -79.03 149.96 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 21' ' ' ASP . 1.9 p-10 -87.65 116.78 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 6.2 m-70 68.44 64.19 0.61 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.1 Cg_endo -74.98 -167.46 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.764 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.45 -35.03 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.57 161.54 14.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.94 139.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.0 t -102.29 114.22 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -105.21 135.33 46.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.5 t -53.18 135.38 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -77.55 -9.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.409 HD11 ' N ' ' A' ' 31' ' ' ILE . 4.0 mm -80.36 -82.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.2 t -90.42 -53.58 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.33 33.89 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.99 149.84 22.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.215 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -63.84 124.4 21.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.29 -14.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -164.2 137.36 5.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.5 138.03 29.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.2 3.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 p -45.99 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.88 99.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.95 -85.13 0.81 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.34 179.61 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.52 151.01 18.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -124.82 141.25 52.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 0.722 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 50' ' ' ILE . 3.8 mt -82.46 114.05 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.29 37.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.74 162.19 38.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.66 118.67 16.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 46' ' ' ILE . 3.6 mt -82.89 140.55 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.3 -58.87 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 -172.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -75.88 148.34 38.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG22 ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -95.89 167.02 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -94.7 -13.39 25.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -75.45 89.9 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.3 mt -79.14 169.89 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.495 0.188 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -82.77 136.11 34.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.642 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -39.57 121.48 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -83.77 169.69 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 -111.22 142.53 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 p -143.3 128.72 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 54' ' ' VAL . 14.1 ttmt -93.6 127.87 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 46' ' ' ILE . 8.3 m -128.44 167.12 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -134.89 133.61 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.7 t -71.11 129.81 88.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.239 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.35 2.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 5.6 t70 -83.77 -42.05 16.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.25 -29.88 54.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 22.9 mt-10 67.05 7.81 5.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -98.1 150.9 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.651 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -88.76 138.21 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.7 mm100 -145.16 157.43 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 ' CG1' HG22 ' A' ' 54' ' ' VAL . 86.4 t -115.75 118.73 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 27' ' ' VAL . 1.1 pt -129.9 167.21 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -74.28 151.89 39.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.56 -14.01 58.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -156.33 70.87 5.01 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.3 p -116.59 -35.43 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.45 162.75 13.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.14 139.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 19' ' ' ILE . 39.8 t -98.1 113.55 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -107.76 140.39 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.1 t -55.59 122.49 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pt -64.97 -11.15 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -77.73 -80.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.1 t -93.04 -51.27 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.07 32.31 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NE ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.77 145.7 25.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -63.2 125.32 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 27' ' ' VAL . 5.2 m -113.81 -19.81 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -164.53 139.51 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.54 138.25 29.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.25 4.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.1 t -77.32 151.98 34.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.62 -161.62 4.52 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.53 -57.5 18.65 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.13 141.39 34.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.52 144.51 49.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.431 1.082 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.68 128.7 56.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.711 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.1 mp -85.26 122.22 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.52 40.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.28 165.19 29.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.78 109.85 7.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -78.16 145.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.49 -69.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.89 -170.76 1.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -76.12 145.22 40.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.612 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -104.84 178.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.69 -14.01 15.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 94.8 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -81.02 168.68 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.338 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.538 0.208 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.79 138.58 44.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.546 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m -66.98 149.27 50.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.78 170.56 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 57' ' ' ILE . 4.4 p90 -98.14 143.2 28.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.069 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.59 127.4 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' N ' HG21 ' A' ' 54' ' ' VAL . 20.0 ttmt -94.2 122.74 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 46' ' ' ILE . 9.8 m -124.35 167.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -134.27 136.55 43.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 3.0 t -71.43 130.77 87.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.76 2.91 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -84.44 -42.64 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.29 -31.41 58.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 108.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 28.2 mt-10 68.83 7.94 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -97.18 150.9 20.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -89.4 138.46 31.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.3 mt-30 -142.86 159.04 43.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -119.7 114.49 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 pt -126.7 165.97 24.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -86.17 151.76 23.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -82.85 -0.98 50.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 1.7 t60 -142.06 63.99 16.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.2 Cg_endo -75.03 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 1.1 t 89.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.47 162.38 13.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.23 139.29 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -113.84 114.02 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -100.93 141.33 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 t -55.08 122.59 11.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 108.235 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.9 pt -65.96 -10.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 mm -77.76 -77.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.96 -51.59 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.223 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.17 30.84 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NH2' ' OD1' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.64 147.17 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 0.796 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -62.47 124.75 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 m -114.35 -34.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -146.25 137.8 24.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.409 1.068 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.75 137.92 32.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.05 2.4 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.447 ' O ' ' CG2' ' A' ' 40' ' ' THR . 7.3 t -105.25 109.55 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.398 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.64 -118.12 3.38 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.462 1.102 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.32 125.42 8.19 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.2 tttm 72.48 110.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.76 158.47 9.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.06 130.98 53.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.476 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.8 mp -85.13 119.03 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -94.15 39.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.378 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.95 165.49 28.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.9 111.82 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.1 mt -82.15 132.03 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.97 -59.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.57 -168.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -75.52 145.41 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -88.5 173.75 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -102.33 -16.88 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -75.45 88.81 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.555 ' HA ' ' CD2' ' A' ' 5' ' ' PHE . 18.2 mt -68.95 170.84 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.247 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.46 0.171 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.01 139.59 30.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.638 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -43.92 158.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.99 169.74 8.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p90 -102.5 139.29 38.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.01 130.03 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -94.44 120.54 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.477 HG13 ' CG2' ' A' ' 46' ' ' ILE . 5.3 m -121.79 166.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -135.72 135.17 39.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.521 ' SG ' ' CG1' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -71.08 129.76 88.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.269 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.554 1.818 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.523 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 78.9 m-20 -83.55 -40.94 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -31.01 46.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' CYS . 27.3 mt-10 68.87 8.05 6.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -97.16 150.92 20.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.22 138.49 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.3 mm100 -143.26 160.59 40.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' CG1' HG21 ' A' ' 54' ' ' VAL . 57.7 t -121.63 114.12 41.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.427 HD11 ' CG1' ' A' ' 46' ' ' ILE . 2.0 pt -124.93 166.4 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -94.3 151.18 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -81.71 124.89 29.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 17.4 t-160 68.17 64.17 0.64 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.554 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.4 Cg_endo -75.03 -29.22 8.41 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER 89.25 -34.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.37 160.75 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.458 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.2 mt -65.21 139.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -110.12 114.74 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -103.06 137.24 41.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.476 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.6 t -50.67 138.47 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 pt -77.49 -9.97 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 31' ' ' ILE . 5.4 mm -82.82 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -85.59 -55.17 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.08 32.8 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.523 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -90.35 150.24 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 110.198 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -63.33 124.74 22.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.521 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 1.8 m -112.29 -22.57 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.55 137.27 16.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.39 138.11 29.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.45 14.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.531 1.806 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.02 97.35 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.6 -85.75 0.09 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.511 1.132 . . . . 0.0 111.077 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.598 ' O ' ' CE1' ' A' ' 22' ' ' HIS . . . -150.84 42.28 0.75 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' GLY . 1.4 ptpp? -161.42 68.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' LYS . . . -37.48 137.99 0.61 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.83 134.4 54.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' HG13 ' A' ' 8' ' ' VAL . 4.9 mp -81.92 119.71 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -95.08 42.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.06 165.98 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -73.29 109.81 7.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.234 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.19 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -100.43 -69.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -174.36 -175.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -71.74 143.47 49.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.435 HG21 ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -93.05 164.98 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -13.6 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -75.22 90.04 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.5 mt -81.04 170.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.403 0.144 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -91.81 134.17 34.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.624 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 75.77 127.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.05 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.38 170.1 8.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 -99.62 148.72 24.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.87 127.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 54' ' ' VAL . 22.5 ttmt -92.4 121.64 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' A' ' 46' ' ' ILE . 9.8 m -122.14 167.55 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -135.5 138.5 43.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 3.9 t -71.56 131.14 86.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.07 -42.39 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.464 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.99 -30.54 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 108.309 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 67.94 8.18 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -97.1 150.78 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.578 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -87.96 138.79 31.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.95 154.73 44.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -115.23 116.9 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pt -128.4 166.47 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -87.7 152.4 22.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.92 37.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.546 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 4.1 t-160 176.98 63.09 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.639 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.3 Cg_endo -74.93 -46.07 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER 88.99 -37.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.16 163.49 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.29 137.47 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.91 118.6 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.33 137.63 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.8 t -52.78 138.22 29.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pt -77.55 -9.99 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.1 mm -79.79 -82.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 t -91.96 -52.79 4.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 133.46 34.91 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.86 146.92 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.03 124.14 20.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 m -113.79 -17.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.83 137.8 11.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.09 136.84 28.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 59.77 5.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.383 1.728 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 t -58.77 -22.57 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.81 -173.88 22.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.76 -73.87 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.99 41.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 0.787 . . . . 0.0 109.21 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.83 113.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.16 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.36 139.31 30.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.476 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.4 mp -84.65 115.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.22 41.67 1.07 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.32 165.5 28.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -73.81 113.1 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 mt -82.58 139.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.35 -58.69 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.232 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.43 -168.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -75.43 143.99 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.533 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -89.12 174.11 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.09 -11.85 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -74.42 90.68 2.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.242 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.4 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . 7.5 mt -77.37 171.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.543 0.211 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -76.63 140.24 40.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.662 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.447 ' OG ' ' NE2' ' A' ' 22' ' ' HIS . 1.8 m 64.45 157.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.94 170.34 9.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.209 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -112.49 143.9 42.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -144.56 125.75 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 54' ' ' VAL . 13.7 ttmt -92.28 122.48 34.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' CG2' ' A' ' 46' ' ' ILE . 8.9 m -121.11 167.15 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 21.1 tttt -132.61 137.18 46.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.8 t -71.36 129.29 89.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.32 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.574 1.828 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.22 -42.98 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.25 -39.6 59.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 78.58 6.45 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -97.26 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.545 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.67 138.07 31.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.5 mt-30 -141.92 155.84 45.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -114.2 114.81 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 pt -135.45 166.03 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -76.55 150.6 36.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 10.0 p-10 -84.96 0.78 50.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.447 ' NE2' ' OG ' ' A' ' 3' ' ' SER . 0.4 OUTLIER -157.33 63.66 3.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.587 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.4 Cg_endo -74.99 171.86 17.5 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.9 p -113.24 -31.51 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.9 162.32 13.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.7 mt -63.95 139.36 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -103.86 113.36 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -107.28 138.05 44.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.06 122.1 10.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -66.8 -10.54 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 31' ' ' ILE . 3.7 mm -77.36 -78.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -95.91 -51.01 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.06 32.28 0.5 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.12 146.21 24.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -62.32 124.91 22.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 m -112.44 -20.28 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.43 138.91 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.382 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -124.58 136.09 27.41 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.5 Cg_endo -74.94 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' GLY . 10.8 p -87.63 160.3 18.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.421 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' THR . . . -37.81 -55.05 1.83 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.31 -93.89 0.1 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.5 145.82 47.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.54 146.86 5.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.74 131.44 54.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.776 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' CG2' HG11 ' A' ' 8' ' ' VAL . 4.5 mt -82.49 112.24 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 38.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.55 162.8 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.3 118.23 17.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -82.53 140.76 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 1.7 mp -96.91 -50.75 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.28 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -72.52 140.82 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -78.85 168.51 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 57' ' ' ILE . 2.6 t70 -98.15 -88.21 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.7 OUTLIER -36.04 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' ASP . 13.1 mt -74.26 170.75 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.8 136.23 33.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.583 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -109.59 142.5 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.078 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 170.29 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 2.3 p90 -109.76 146.32 35.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.92 129.03 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' N ' HG22 ' A' ' 54' ' ' VAL . 16.1 ttmt -91.41 120.73 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 HG21 ' CG1' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -116.06 167.35 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -135.02 133.74 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 2.2 t -70.77 128.44 90.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -35.06 3.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.042 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 3.9 t0 -84.73 -43.77 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.62 -28.35 56.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.3 mt-10 66.67 8.15 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -97.36 151.88 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.627 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.35 138.43 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.04 160.34 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -122.44 114.63 43.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' CG1' HG21 ' A' ' 8' ' ' VAL . 1.5 pp -137.26 167.1 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -74.76 151.71 39.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -85.82 8.01 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.214 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.417 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -162.28 63.55 1.5 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.579 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -75.02 168.79 24.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.26 -31.07 6.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.042 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.18 162.46 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -64.25 139.48 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' CG2' ' A' ' 36' ' ' VAL . 59.5 t -106.37 113.2 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -106.65 134.92 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.3 t -51.9 122.29 8.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 108.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.98 -11.18 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 31' ' ' ILE . 6.0 mm -78.35 -80.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -91.9 -52.42 4.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.242 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.87 32.66 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.07 147.32 23.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.274 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -64.62 124.29 21.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.47 ' CG2' HG13 ' A' ' 27' ' ' VAL . 4.9 m -114.4 -13.0 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.38 137.87 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.94 138.09 29.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 77.5 3.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.9 p -58.1 164.84 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.94 -86.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.562 1.164 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.72 -87.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.77 141.65 46.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.3 144.9 0.63 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.11 142.81 51.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 HG22 ' CG1' ' A' ' 8' ' ' VAL . 3.7 mp -84.1 116.53 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 35.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.78 164.91 30.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.09 122.41 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.2 mt -82.2 139.18 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -95.0 -60.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.1 -168.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -77.88 135.37 37.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.576 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -80.93 173.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.239 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.56 -11.69 16.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.34 90.56 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mt -86.57 166.95 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.312 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.461 0.172 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.24 139.73 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -45.34 120.65 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.12 170.53 7.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.597 ' CE2' ' CD1' ' A' ' 57' ' ' ILE . 4.3 p90 -93.87 143.19 26.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.97 131.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -96.36 120.97 37.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 46' ' ' ILE . 8.6 m -120.53 167.34 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -134.92 137.18 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.6 t -71.04 130.63 87.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.95 3.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -43.63 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.01 -29.46 60.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.1 mt-10 66.62 8.12 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -97.49 151.61 19.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -87.52 138.34 31.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -145.56 146.66 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.04 119.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 pt -131.04 166.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -77.26 151.58 35.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -87.08 5.82 35.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.601 1.188 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 2.4 t60 -159.03 62.41 2.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.582 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.1 Cg_endo -75.04 169.54 22.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.3 -32.3 6.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.74 162.61 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.0 mt -64.15 139.36 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 t -98.71 113.44 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -109.54 138.78 45.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.2 122.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 108.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 pt -66.91 -10.31 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 31' ' ' ILE . 5.8 mm -77.1 -79.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.1 t -96.14 -50.14 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 108.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.65 32.57 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.6 146.35 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -62.62 124.99 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.437 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 3.6 m -113.04 -29.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.25 138.83 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -124.92 138.46 31.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -14.7 21.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 t 39.55 50.25 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.34 88.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.26 -128.96 8.09 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 141.29 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 0.71 . . . . 0.0 109.223 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.99 132.59 11.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -123.93 128.08 48.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 0.721 . . . . 0.0 109.31 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.9 mp -85.65 119.01 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.38 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.37 164.4 31.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.78 112.04 9.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.6 mt -81.68 135.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.9 -57.05 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 171.32 -168.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -75.41 143.09 42.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -89.72 170.75 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.24 -11.99 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -75.08 92.71 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.597 ' CD1' ' CE2' ' A' ' 5' ' ' PHE . 4.3 mm -73.5 166.36 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.545 0.212 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -77.83 140.05 39.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.665 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -39.45 138.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 170.02 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.0 p90 -94.07 142.44 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.11 128.72 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 54' ' ' VAL . 20.8 ttmt -91.99 120.63 32.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 46' ' ' ILE . 6.6 m -118.65 167.36 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 137.81 45.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.5 t -71.43 131.15 86.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -35.58 3.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -86.25 -43.21 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.24 -29.51 60.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.4 mt-10 66.45 8.39 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -97.25 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.618 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -88.52 138.48 31.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.03 158.28 43.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.14 115.89 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 pt -135.2 166.43 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -75.22 151.54 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 2.8 p-10 -87.52 10.46 17.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.515 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 54.8 t60 -167.63 63.15 0.64 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.643 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.5 Cg_endo -74.97 172.3 16.63 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.462 1.77 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.7 t -114.02 -32.47 6.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.62 162.25 13.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt -64.54 139.34 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.0 t -107.84 113.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.51 140.15 37.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.9 t -54.63 122.03 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.0 pt -65.5 -11.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.0 mm -76.19 -77.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.0 t -98.41 -49.42 4.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.02 32.15 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.59 145.73 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -61.41 124.91 21.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.47 -32.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.1 139.31 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -118.73 138.26 25.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.12 21.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.0 p 39.13 46.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.087 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.13 74.76 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.18 -118.31 5.53 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.4 108.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.97 147.9 26.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -123.24 138.82 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.461 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.3 mt -82.31 115.11 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.81 38.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.66 163.1 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.9 121.35 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 46' ' ' ILE . 3.0 mt -86.2 145.93 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.0 mp -101.65 -68.54 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.26 -167.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -79.29 139.15 37.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -79.66 174.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -105.15 -15.94 14.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -75.5 90.8 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . 18.1 mt -74.11 170.53 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.487 0.184 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.3 140.18 31.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.24 159.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.923 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.81 170.17 15.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 110.361 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.8 p90 -103.21 148.5 25.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.43 125.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.455 ' N ' HG21 ' A' ' 54' ' ' VAL . 15.7 ttmt -93.02 121.15 34.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.48 HG12 ' CG2' ' A' ' 46' ' ' ILE . 10.2 m -121.57 167.06 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.7 tttt -133.71 136.95 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.8 t -71.22 129.8 88.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.95 2.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.3 -42.05 16.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.18 -30.25 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 21.6 mt-10 67.91 7.73 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -97.38 150.77 20.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.578 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -88.43 138.47 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -141.42 160.39 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -121.1 115.47 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.347 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' A' ' 27' ' ' VAL . 2.0 pt -128.23 166.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -84.19 151.58 24.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -84.8 6.84 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.86 67.35 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.3 Cg_endo -75.04 -90.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER 155.92 -37.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.952 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.65 163.02 13.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.83 135.59 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 19' ' ' ILE . 44.3 t -97.99 113.64 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -105.15 142.12 35.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.8 t -57.18 122.77 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -65.98 -10.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 31' ' ' ILE . 5.3 mm -78.03 -80.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.35 -51.4 5.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 108.384 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.11 32.95 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.8 146.11 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -64.51 124.98 23.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.427 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.422 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 11.5 m -113.48 -31.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.92 139.37 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -124.23 138.12 30.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -19.12 18.01 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.437 1.756 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.8 t 39.56 47.62 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.14 -139.77 20.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.74 69.28 0.98 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.76 -164.39 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 0.746 . . . . 0.0 109.216 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.76 110.55 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.29 133.64 53.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.48 ' CG2' HG12 ' A' ' 8' ' ' VAL . 4.0 mp -85.29 119.64 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 40.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.76 165.75 27.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -75.13 109.4 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.418 HG23 ' N ' ' A' ' 51' ' ' ILE . 3.3 mt -76.15 142.73 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.418 ' N ' HG23 ' A' ' 50' ' ' ILE . 1.6 mp -98.67 -57.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -171.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -72.26 139.19 47.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -82.01 175.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.12 -17.62 13.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -75.61 79.33 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' HA ' ' CD2' ' A' ' 5' ' ' PHE . 2.0 mt -57.46 170.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.586 0.231 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -79.47 140.04 37.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.407 1.067 . . . . 0.0 109.632 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 m 63.76 84.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.23 170.09 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -98.8 151.56 20.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.05 126.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 54' ' ' VAL . 16.6 ttmt -93.31 120.65 33.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 46' ' ' ILE . 1.1 m -115.61 166.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -135.41 135.13 40.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.4 t -71.68 127.18 91.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.26 -43.57 17.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.18 -41.98 56.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.314 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 82.56 5.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.224 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -96.92 150.72 20.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -88.01 136.76 32.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.41 157.68 45.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.06 121.79 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.15 166.83 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -79.12 151.89 31.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -84.56 8.16 17.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 18.4 p80 -164.67 63.12 1.01 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.582 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.4 Cg_endo -75.03 176.2 10.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.81 -34.06 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.59 162.14 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -64.93 139.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.448 HG11 ' CG2' ' A' ' 36' ' ' VAL . 40.1 t -95.49 113.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -107.8 135.54 49.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.4 t -54.45 122.79 11.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.25 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pt -66.18 -10.7 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 31' ' ' ILE . 5.7 mm -77.94 -79.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -93.74 -51.74 4.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.16 32.69 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.88 146.06 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -63.63 123.9 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.467 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 4.6 m -114.58 -13.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.88 139.38 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -126.7 135.13 26.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.54 5.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.798 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 43' ' ' LYS . 11.7 t -39.94 158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.8 -54.23 1.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.74 -123.05 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.0 OUTLIER -87.41 138.79 31.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.36 139.56 2.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.97 134.88 54.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CG2' HG11 ' A' ' 8' ' ' VAL . 3.7 mp -84.89 122.31 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 35.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.67 166.4 25.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.73 117.94 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.07 130.04 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.3 mp -84.49 -59.56 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.83 -171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -71.05 138.62 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -86.11 171.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.42 -16.54 14.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -75.28 75.49 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.514 ' HA ' ' CD2' ' A' ' 5' ' ' PHE . 1.3 mt -55.68 170.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.516 0.198 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -74.66 138.62 43.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -42.53 160.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.56 170.45 10.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 2.3 p90 -112.2 137.97 49.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.45 125.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -92.57 125.09 37.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -120.29 167.14 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -134.99 131.51 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 t -70.46 128.84 90.83 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.358 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -34.96 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -84.74 -40.53 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -79.63 -29.28 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.365 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' CYS . 9.6 mt-10 66.77 8.86 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -97.27 151.51 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.132 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.78 138.32 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.12 159.69 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 54' ' ' VAL . 60.6 t -123.49 115.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 pt -125.84 167.02 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -86.64 152.73 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -87.71 34.9 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 8.6 t60 -176.06 61.63 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.588 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.2 Cg_endo -75.07 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 1.6 t 89.33 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.2 162.79 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.99 138.94 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -114.36 115.0 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.53 141.25 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 t -55.13 122.13 10.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -64.29 -11.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.418 HD11 ' N ' ' A' ' 31' ' ' ILE . 4.0 mm -77.33 -79.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.4 t -93.56 -50.76 5.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.262 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.68 31.74 0.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.97 146.61 24.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -65.43 123.86 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.9 m -114.4 -27.33 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.62 137.67 26.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.76 138.54 30.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -13.56 21.39 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.581 1.832 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.7 t 39.28 36.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.86 83.08 0.05 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.39 -125.56 6.77 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 127.76 20.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 0.786 . . . . 0.0 109.227 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.77 133.65 12.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.162 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.89 135.98 53.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.1 mp -82.19 123.19 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -95.75 38.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.63 168.1 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.36 110.2 7.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.81 136.34 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -89.85 -78.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.17 -174.29 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -71.29 134.0 46.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.464 HG22 ' CG1' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -86.59 175.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.6 -16.64 14.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 93.64 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.2 mt -82.93 167.42 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.512 0.196 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 7.3 m-70 -74.04 139.98 45.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' HIS . 0.4 OUTLIER -37.94 155.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.74 170.04 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 -101.53 141.86 33.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.89 130.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -93.69 121.58 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 HG12 ' CG2' ' A' ' 46' ' ' ILE . 5.3 m -118.33 167.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -134.89 135.03 41.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 1.8 t -71.04 130.18 88.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -84.03 -42.65 15.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.76 -29.2 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 66.35 8.29 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -97.66 151.08 20.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.562 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -88.2 138.37 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -144.74 155.89 43.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -116.17 120.16 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pt -132.39 166.81 28.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -75.32 151.31 38.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -87.62 12.14 13.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 4.0 t-160 -171.25 63.57 0.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.583 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.6 Cg_endo -74.96 176.46 9.88 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.492 1.785 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.5 p -114.92 -33.83 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.62 162.13 13.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.37 139.4 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG11 ' CG2' ' A' ' 36' ' ' VAL . 11.6 t -99.86 113.44 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -107.92 139.91 41.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.4 t -57.11 122.35 12.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -67.17 -10.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -77.62 -80.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 -51.27 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.73 32.71 0.5 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.08 147.72 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 m -65.7 124.71 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.454 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 9.6 m -113.97 -21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.21 139.81 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -124.97 115.47 26.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.3 133.94 39.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.46 -113.04 2.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.74 -64.43 0.64 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 134.75 54.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.49 139.1 14.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.568 1.168 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.22 130.56 53.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 109.272 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.458 ' CG2' HG12 ' A' ' 8' ' ' VAL . 4.6 mp -85.06 123.2 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.37 40.92 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.36 165.96 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.69 108.18 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.2 mt -72.59 125.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.35 -77.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -167.64 -173.09 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -72.15 142.79 49.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.501 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -89.41 156.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' ILE . 11.0 t0 -88.04 -85.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' ASP . 1.1 mt-30 -36.5 96.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' ASP . 16.9 mt -67.25 170.68 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' SER . 17.4 p80 -86.84 140.0 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' HIS . 2.8 t -38.09 108.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.01 170.36 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -105.15 143.31 33.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.5 130.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -92.8 120.61 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.455 HG12 ' CG2' ' A' ' 46' ' ' ILE . 5.4 m -117.85 166.86 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -133.38 135.85 44.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 1.4 t -71.2 130.12 88.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -43.22 13.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.36 -31.47 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 19.3 mt-10 68.88 7.26 6.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -97.28 151.17 20.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.603 1.19 . . . . 0.0 109.553 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -87.76 138.15 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.45 158.7 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.85 118.2 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.56 166.77 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -74.52 151.85 39.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -89.7 19.49 4.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.444 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -176.97 62.23 0.19 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.577 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.3 Cg_endo -74.87 170.35 20.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 m -111.61 -32.01 6.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.045 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.34 162.84 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.94 138.98 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -105.15 113.94 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -105.48 139.95 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.7 t -58.83 122.47 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -63.36 -10.66 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.449 HD11 ' N ' ' A' ' 31' ' ' ILE . 2.9 mm -74.54 -80.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -98.0 -41.78 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . 122.84 32.89 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.12 144.07 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 0.81 . . . . 0.0 110.234 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.2 m -61.8 125.6 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.473 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 3.5 m -113.91 -20.18 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.87 139.41 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.78 138.2 25.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.96 -8.58 20.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' PRO . 28.6 p 37.16 51.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.85 -68.44 1.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.58 -115.91 4.12 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.82 121.25 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.59 150.56 33.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -124.58 137.55 54.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.6 mt -82.97 112.13 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 38.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.68 162.1 38.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.12 119.71 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 51' ' ' ILE . 3.5 mt -83.55 147.38 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.423 ' N ' HD13 ' A' ' 51' ' ' ILE . 1.9 mp -105.53 -52.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 168.71 -169.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.391 1.057 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -75.79 146.54 39.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.22 172.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -98.72 -15.89 19.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.69 93.62 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.7 mt -85.07 167.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.517 0.199 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.449 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 0.3 OUTLIER -83.49 139.98 32.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.606 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 2' ' ' HIS . 25.1 p -38.68 147.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.064 . . . . 0.0 110.012 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 169.31 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 -94.36 142.03 27.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.167 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.67 130.62 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -91.9 120.39 32.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 17' ' ' GLN . 13.6 m -117.81 167.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -128.07 135.11 49.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 1.8 t -71.43 129.45 88.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.541 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -84.12 -44.43 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.88 -31.57 61.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 22.1 mt-10 69.6 6.45 5.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -97.48 151.91 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.21 131.12 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -133.01 162.92 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' CG1' HG22 ' A' ' 54' ' ' VAL . 50.6 t -118.98 113.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.1 pt -138.85 166.07 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -83.86 147.49 27.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.33 112.42 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 44' ' ' GLY . 8.5 m170 71.2 65.17 0.41 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.659 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.7 p -117.04 -35.63 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.974 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.26 161.87 13.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.0 mt -64.85 139.45 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.4 t -106.5 114.5 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.76 139.86 38.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.4 t -61.93 122.29 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 108.334 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.61 -10.54 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 31' ' ' ILE . 6.5 mm -74.92 -77.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 t -97.78 -48.75 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.236 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 128.95 31.98 0.61 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.15 148.63 22.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.462 0.742 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.4 m -67.87 125.68 27.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 8.1 m -111.39 -20.27 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.3 136.91 15.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -121.58 133.86 24.38 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 98.48 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 t -88.88 163.09 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.33 101.63 0.1 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.37 90.9 1.28 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.4 mttt 66.28 135.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' HIS . . . -67.97 166.78 43.41 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.44 130.9 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.751 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.467 HD12 ' CD1' ' A' ' 50' ' ' ILE . 3.5 mt -82.01 110.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 38.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.86 158.36 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.6 121.17 20.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 46' ' ' ILE . 2.5 mt -85.21 145.95 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -105.85 -79.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' CG2' ' A' ' 51' ' ' ILE . 4.0 pt-20 -154.29 -168.56 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.63 147.64 28.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.473 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -91.9 175.2 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.96 -10.46 18.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.84 89.12 2.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.1 mt -80.5 169.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mtt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.502 0.192 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -71.02 140.16 50.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.603 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 p -38.24 151.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -85.28 170.01 13.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.68 ' CE1' ' CD1' ' A' ' 57' ' ' ILE . 14.0 p90 -102.24 137.76 40.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.66 126.81 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' N ' HG21 ' A' ' 54' ' ' VAL . 22.5 ttmt -91.67 120.14 32.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.444 HG13 ' CG2' ' A' ' 46' ' ' ILE . 5.5 m -117.65 167.27 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HB3' ' CD1' ' A' ' 51' ' ' ILE . 11.2 tttt -133.97 136.07 43.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -70.9 129.99 88.96 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.079 . . . . 0.0 108.346 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.79 -43.81 13.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.53 -31.95 62.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 11.8 mt-10 69.57 7.25 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -96.78 150.81 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.24 138.48 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.1 mt-30 -144.12 153.05 41.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.49 116.39 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.465 ' CG2' HG13 ' A' ' 27' ' ' VAL . 1.1 pt -130.23 166.83 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -79.09 151.57 31.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.2 p-10 -85.81 2.13 46.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 43' ' ' LYS . 3.6 t-160 -160.23 62.3 1.77 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.583 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.5 Cg_endo -74.91 174.89 11.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.562 1.822 . . . . 0.0 110.983 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 p -113.95 -33.17 5.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.4 162.76 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.81 138.07 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 19' ' ' ILE . 31.1 t -98.56 113.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.8 t -57.38 122.24 12.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 pt -65.97 -11.03 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 31' ' ' ILE . 6.2 mm -75.8 -78.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -96.93 -49.85 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 108.276 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.85 32.01 0.57 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.25 146.95 23.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.346 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 m -63.62 124.97 22.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.451 ' CG2' HG11 ' A' ' 27' ' ' VAL . 3.7 m -112.61 -28.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.89 142.47 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.45 132.08 24.22 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 68.84 5.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.8 p -45.87 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.34 -102.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.41 -97.52 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -67.18 144.93 55.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 0.777 . . . . 0.0 109.255 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.11 155.19 22.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.07 131.49 53.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' CG2' HG13 ' A' ' 8' ' ' VAL . 3.9 mp -85.32 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -98.84 36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.48 165.63 28.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.18 115.95 15.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.37 133.97 28.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.8 mp -88.26 -51.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 164.46 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -71.27 137.87 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.443 HG21 ' N ' ' A' ' 7' ' ' LYS . 1.3 t -71.29 176.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.61 -83.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 3.6 tt0 -65.12 92.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.68 ' CD1' ' CE1' ' A' ' 5' ' ' PHE . 41.9 mt -61.18 169.95 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.477 0.18 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -91.23 140.12 30.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.584 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 68.6 158.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.6 ttp-105 -94.95 168.99 10.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.688 ' CE1' ' CD1' ' A' ' 57' ' ' ILE . 19.4 p90 -97.54 136.66 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -143.57 126.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' N ' HG21 ' A' ' 54' ' ' VAL . 20.2 ttmt -91.4 121.12 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 HG12 ' CG2' ' A' ' 46' ' ' ILE . 10.0 m -120.59 167.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' CB ' HD12 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -131.94 137.29 47.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.488 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.6 t -71.16 129.65 88.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -36.29 2.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.426 1.751 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -83.83 -43.42 15.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.84 -38.95 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 77.76 6.66 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -97.02 151.26 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.83 138.16 31.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.02 156.3 44.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.5 t -114.98 114.23 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' CG2' HG13 ' A' ' 27' ' ' VAL . 1.1 pt -132.65 165.91 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -75.4 151.52 38.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB3' ' CG1' ' A' ' 6' ' ' VAL . 20.1 p-10 -86.21 -2.97 58.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.227 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.6 t60 -156.72 63.15 3.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.6 Cg_endo -74.87 177.81 8.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 p -115.21 -33.8 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.63 162.45 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.631 1.207 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt -64.77 139.93 20.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG13 ' CG2' ' A' ' 19' ' ' ILE . 36.3 t -104.64 114.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -104.13 142.94 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.471 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.0 t -58.09 134.89 56.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pt -77.5 -9.76 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 31' ' ' ILE . 7.0 mm -78.62 -81.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.6 t -93.38 -52.34 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.11 34.07 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.08 150.08 22.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.5 m -68.53 125.54 26.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.431 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 15.3 m -113.38 -32.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.76 138.22 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.6 132.06 23.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 98.1 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.443 1.76 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.3 p -69.11 -7.29 34.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.99 -73.17 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.99 87.18 1.35 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER 73.29 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 0.811 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LYS . . . -37.72 157.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.65 131.39 56.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 0.715 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.3 mt -84.49 112.02 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -92.05 36.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.76 162.33 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -74.79 124.02 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.416 ' CD1' HD13 ' A' ' 46' ' ' ILE . 4.0 mt -87.15 145.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.417 HD12 ' CB ' ' A' ' 9' ' ' LYS . 2.1 mp -101.71 -50.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER 168.01 -171.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.21 140.46 50.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.448 HG21 ' N ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -72.24 163.62 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 9.5 t0 -98.18 -88.6 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.49 92.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.688 ' CD1' ' CE1' ' A' ' 5' ' ' PHE . 37.7 mt -62.67 170.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.449 0.166 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -92.59 140.51 29.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -37.29 142.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -105.01 170.58 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' A' ' 57' ' ' ILE . 1.2 p90 -103.05 150.03 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.75 125.84 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' N ' HG23 ' A' ' 54' ' ' VAL . 14.4 ttmt -93.89 120.69 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 HG12 ' CG2' ' A' ' 46' ' ' ILE . 6.2 m -118.6 167.2 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -134.93 136.72 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.525 ' SG ' ' CG1' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -70.9 130.66 88.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.274 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -35.69 3.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -40.73 16.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.51 -30.4 47.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 108.291 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 10.4 mt-10 67.64 8.17 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -97.18 150.84 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.658 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -88.45 138.29 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.73 159.34 42.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.51 119.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.416 ' CG2' HG12 ' A' ' 27' ' ' VAL . 1.1 pt -133.72 166.65 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -78.81 151.65 31.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -82.86 -9.96 59.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.437 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 57.9 t-80 -144.42 63.44 11.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.597 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -75.05 166.96 28.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.2 t -113.67 -31.58 6.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.81 161.98 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.611 1.194 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -64.98 139.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.261 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.416 HG12 ' CG2' ' A' ' 19' ' ' ILE . 17.9 t -100.91 113.64 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -107.43 138.39 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.5 t -56.23 122.38 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.21 -10.99 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.2 mm -78.75 -81.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -90.4 -52.04 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.07 30.92 0.6 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.84 147.32 23.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 0.804 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m -62.22 125.78 25.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.525 ' CG1' ' SG ' ' A' ' 10' ' ' CYS . 2.5 m -113.9 -13.12 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.16 138.06 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.06 134.38 25.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.02 58.78 5.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 7.6 t -37.81 112.27 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.35 -98.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.9 -57.88 0.68 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -70.27 165.27 22.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.63 130.43 9.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.79 129.49 56.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.313 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.479 ' CG2' HG12 ' A' ' 8' ' ' VAL . 3.3 mp -84.16 115.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 41.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.5 164.84 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.57 113.7 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 mt -81.2 142.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mp -100.18 -49.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER 160.65 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -72.53 141.17 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -85.28 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.27 -17.6 14.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.37 82.81 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . 3.7 mt -62.16 170.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p90 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.463 0.173 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.87 132.56 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.582 ' HB2' HG13 ' A' ' 54' ' ' VAL . 14.9 ttmt -94.85 127.0 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.738 HG12 HG12 ' A' ' 50' ' ' ILE . 4.0 m -127.65 166.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 136.04 42.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.643 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.1 t -71.46 128.98 89.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -35.62 3.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.513 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 3.8 m-20 -85.02 -43.1 14.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -75.12 -35.38 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 74.02 6.4 4.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -97.15 151.11 20.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.18 137.53 32.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 8' ' ' VAL . 2.1 mm100 -142.64 160.08 40.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.682 HG13 HG21 ' A' ' 54' ' ' VAL . 84.3 t -120.38 117.91 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.839 HG21 HG11 ' A' ' 27' ' ' VAL . 1.5 pt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.839 HG11 HG21 ' A' ' 19' ' ' ILE . 21.5 t -100.56 113.68 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.65 139.05 38.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.6 t -56.81 122.71 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.422 HG13 HD13 ' A' ' 31' ' ' ILE . 2.3 pt -65.25 -10.85 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.422 HD13 HG13 ' A' ' 30' ' ' ILE . 6.3 mm -76.4 -78.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.2 t -96.74 -48.78 5.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.15 32.06 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -89.78 146.65 24.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -61.55 124.61 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.643 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.4 m -112.55 -25.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.84 138.54 19.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.71 HG21 HG11 ' A' ' 8' ' ' VAL . 4.1 mp -85.02 115.58 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -92.0 39.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 109.22 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -144.88 162.81 35.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.3 114.73 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.234 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.738 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -80.99 136.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.12 -63.01 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.25 -170.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -75.37 148.04 39.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.682 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.571 0.224 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.91 126.43 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.478 ' N ' HG22 ' A' ' 54' ' ' VAL . 16.7 ttmt -91.43 122.78 34.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG11 HG21 ' A' ' 46' ' ' ILE . 8.7 m -123.99 167.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.1 tttt -134.08 133.85 41.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 t -70.81 129.55 89.61 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.19 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -29.13 45.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 108.234 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 66.42 7.94 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -98.28 150.93 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -88.22 137.65 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mm100 -142.76 159.06 42.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.66 HG13 HG21 ' A' ' 54' ' ' VAL . 58.5 t -119.98 115.07 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.566 HG12 HG21 ' A' ' 8' ' ' VAL . 2.0 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' CG2' ' A' ' 36' ' ' VAL . 59.8 t -101.24 113.59 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -107.16 138.65 42.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.2 t -54.51 122.8 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.64 -11.26 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 31' ' ' ILE . 6.1 mm -77.81 -79.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.78 -51.31 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 108.304 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.39 32.24 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.79 144.42 25.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -60.73 124.86 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.676 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.2 m -114.12 -14.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.11 144.85 9.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.79 HG21 HG11 ' A' ' 8' ' ' VAL . 3.2 mp -84.69 120.22 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 41.13 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.26 164.91 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -73.9 111.33 8.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.766 HG12 HG12 ' A' ' 8' ' ' VAL . 2.5 mt -80.04 141.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.21 -55.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.71 -166.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -77.03 142.97 39.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.66 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.532 0.205 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.43 130.38 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HE3' HG13 ' A' ' 54' ' ' VAL . 19.3 ttmt -91.92 121.53 33.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.784 HG12 HG12 ' A' ' 50' ' ' ILE . 6.3 m -120.66 167.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 16.4 tttt -132.89 134.8 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 3.0 t -71.62 129.38 88.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.14 2.76 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.484 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -83.51 -44.24 14.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.27 -31.91 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 108.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' CYS . 19.0 mt-10 69.99 6.7 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -97.38 151.17 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.567 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.44 138.11 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.9 mm100 -143.15 159.96 41.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.699 HG13 HG21 ' A' ' 54' ' ' VAL . 91.5 t -118.86 115.04 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.585 HG12 HG21 ' A' ' 8' ' ' VAL . 1.4 pt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 36' ' ' VAL . 17.0 t -102.29 114.22 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -105.21 135.33 46.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.5 t -53.18 135.38 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -77.55 -9.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.0 mm -80.36 -82.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.2 t -90.42 -53.58 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.33 33.89 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.99 149.84 22.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.215 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -63.84 124.4 21.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' HG12 ' A' ' 27' ' ' VAL . 2.9 m -114.29 -14.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 27' ' ' VAL . . . -164.2 137.36 5.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 50' ' ' ILE . 3.8 mt -82.46 114.05 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.29 37.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.74 162.19 38.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.66 118.67 16.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.784 HG12 HG12 ' A' ' 8' ' ' VAL . 3.6 mt -82.89 140.55 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.3 -58.87 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 -172.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -75.88 148.34 38.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.699 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.57 0.224 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 19' ' ' ILE . 1.1 p -143.3 128.72 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' N ' HG22 ' A' ' 54' ' ' VAL . 14.1 ttmt -93.6 127.87 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.803 HG12 HG12 ' A' ' 50' ' ' ILE . 8.3 m -128.44 167.12 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 25.4 tttt -134.89 133.61 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.576 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.7 t -71.11 129.81 88.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.239 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.35 2.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 5.6 t70 -83.77 -42.05 16.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.25 -29.88 54.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 22.9 mt-10 67.05 7.81 5.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -98.1 150.9 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.651 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -88.76 138.21 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.7 mm100 -145.16 157.43 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.76 HG13 HG21 ' A' ' 54' ' ' VAL . 86.4 t -115.75 118.73 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.765 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.765 HG11 HG21 ' A' ' 19' ' ' ILE . 39.8 t -98.1 113.55 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -107.76 140.39 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.1 t -55.59 122.49 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pt -64.97 -11.15 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.51 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -77.73 -80.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.1 t -93.04 -51.27 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.07 32.31 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NE ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.77 145.7 25.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -63.2 125.32 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.576 HG12 ' SG ' ' A' ' 10' ' ' CYS . 5.2 m -113.81 -19.81 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -164.53 139.51 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.762 HG21 HG11 ' A' ' 8' ' ' VAL . 3.1 mp -85.26 122.22 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.52 40.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.502 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.28 165.19 29.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.78 109.85 7.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.803 HG12 HG12 ' A' ' 8' ' ' VAL . 2.7 mt -78.16 145.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.8 mp -102.49 -69.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -169.89 -170.76 1.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -76.12 145.22 40.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.76 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.482 0.182 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.59 127.4 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.0 ttmt -94.2 122.74 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.821 HG11 HG21 ' A' ' 46' ' ' ILE . 9.8 m -124.35 167.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.4 tttt -134.27 136.55 43.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' HG12 ' A' ' 36' ' ' VAL . 3.0 t -71.43 130.77 87.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.3 Cg_endo -75.05 -35.76 2.91 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.439 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -84.44 -42.64 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.29 -31.41 58.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 108.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 28.2 mt-10 68.83 7.94 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -97.18 150.9 20.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -89.4 138.46 31.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.3 mt-30 -142.86 159.04 43.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.636 HG13 HG21 ' A' ' 54' ' ' VAL . 89.6 t -119.7 114.49 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 8' ' ' VAL . 1.9 pt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -113.84 114.02 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -100.93 141.33 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 t -55.08 122.59 11.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 108.235 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.502 HG13 HD13 ' A' ' 31' ' ' ILE . 3.9 pt -65.96 -10.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.502 HD13 HG13 ' A' ' 30' ' ' ILE . 9.1 mm -77.76 -77.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.96 -51.59 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.223 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.17 30.84 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NH2' ' OD1' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.64 147.17 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 0.796 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -62.47 124.75 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.522 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.3 m -114.35 -34.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -146.25 137.8 24.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.409 1.068 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.821 HG21 HG11 ' A' ' 8' ' ' VAL . 3.8 mp -85.13 119.03 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -94.15 39.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.378 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.48 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -144.95 165.49 28.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.9 111.82 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.721 HG12 HG12 ' A' ' 8' ' ' VAL . 2.1 mt -82.15 132.03 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 9' ' ' LYS . 2.0 mp -86.97 -59.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.57 -168.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -75.52 145.41 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.636 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p90 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.481 0.182 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.01 130.03 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 54' ' ' VAL . 21.1 ttmt -94.44 120.54 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.805 HG11 HG21 ' A' ' 46' ' ' ILE . 5.3 m -121.79 166.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 47.7 tttt -135.72 135.17 39.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.646 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -71.08 129.76 88.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.269 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.554 1.818 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.523 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 78.9 m-20 -83.55 -40.94 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -31.01 46.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' CYS . 27.3 mt-10 68.87 8.05 6.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -97.16 150.92 20.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.22 138.49 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.447 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.3 mm100 -143.26 160.59 40.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.683 HG13 HG21 ' A' ' 54' ' ' VAL . 57.7 t -121.63 114.12 41.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.58 HG12 HG21 ' A' ' 8' ' ' VAL . 2.0 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.2 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -110.12 114.74 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -103.06 137.24 41.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.6 t -50.67 138.47 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.447 HG12 ' CG ' ' A' ' 17' ' ' GLN . 2.1 pt -77.49 -9.97 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.4 mm -82.82 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -85.59 -55.17 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.08 32.8 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.523 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -90.35 150.24 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 110.198 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -63.33 124.74 22.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.646 HG12 ' SG ' ' A' ' 10' ' ' CYS . 1.8 m -112.29 -22.57 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.55 137.27 16.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.805 HG21 HG11 ' A' ' 8' ' ' VAL . 4.9 mp -81.92 119.71 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -95.08 42.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.06 165.98 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -73.29 109.81 7.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.234 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.763 HG12 HG12 ' A' ' 8' ' ' VAL . 3.3 mt -77.19 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -100.43 -69.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 51' ' ' ILE . 1.6 tt0 -174.36 -175.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -71.74 143.47 49.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.683 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.526 0.203 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.87 127.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.543 ' HE3' HG13 ' A' ' 54' ' ' VAL . 22.5 ttmt -92.4 121.64 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.849 HG11 HG21 ' A' ' 46' ' ' ILE . 9.8 m -122.14 167.55 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.444 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 16.3 tttt -135.5 138.5 43.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 3.9 t -71.56 131.14 86.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . 1.1 m-20 -85.07 -42.39 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.99 -30.54 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 108.309 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 67.94 8.18 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -97.1 150.78 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.578 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -87.96 138.79 31.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -142.95 154.73 44.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.568 HG13 HG21 ' A' ' 54' ' ' VAL . 87.8 t -115.23 116.9 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.633 HD11 HG12 ' A' ' 46' ' ' ILE . 1.4 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.416 HG12 ' CG2' ' A' ' 36' ' ' VAL . 48.6 t -107.91 118.6 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.33 137.63 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.8 t -52.78 138.22 29.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pt -77.55 -9.99 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -79.79 -82.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 t -91.96 -52.79 4.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 133.46 34.91 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' NE ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.86 146.92 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.03 124.14 20.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.416 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.8 m -113.79 -17.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.83 137.8 11.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.849 HG21 HG11 ' A' ' 8' ' ' VAL . 3.4 mp -84.65 115.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.22 41.67 1.07 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.32 165.5 28.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -73.81 113.1 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 8' ' ' VAL . 2.3 mt -82.58 139.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.35 -58.69 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.232 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.43 -168.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -75.43 143.99 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 p90 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.496 0.189 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -144.56 125.75 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 54' ' ' VAL . 13.7 ttmt -92.28 122.48 34.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.755 HG11 HG21 ' A' ' 46' ' ' ILE . 8.9 m -121.11 167.15 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.575 ' HB3' HD11 ' A' ' 51' ' ' ILE . 21.1 tttt -132.61 137.18 46.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.8 t -71.36 129.29 89.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.32 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.574 1.828 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.22 -42.98 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.25 -39.6 59.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 78.58 6.45 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -97.26 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.545 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.67 138.07 31.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.5 mt-30 -141.92 155.84 45.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 HG21 ' A' ' 54' ' ' VAL . 56.5 t -114.2 114.81 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.559 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.7 mt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.559 HG11 HG21 ' A' ' 19' ' ' ILE . 24.3 t -103.86 113.36 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -107.28 138.05 44.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.06 122.1 10.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -66.8 -10.54 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.566 HD13 ' N ' ' A' ' 31' ' ' ILE . 3.7 mm -77.36 -78.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -95.91 -51.01 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.06 32.28 0.5 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.12 146.21 24.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -62.32 124.91 22.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.533 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.1 m -112.44 -20.28 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.43 138.91 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.382 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.755 HG21 HG11 ' A' ' 8' ' ' VAL . 4.5 mt -82.49 112.24 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 38.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.55 162.8 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.3 118.23 17.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.752 HG12 HG12 ' A' ' 8' ' ' VAL . 3.4 mt -82.53 140.76 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.7 mp -96.91 -50.75 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.28 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -72.52 140.82 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.538 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 2.3 p90 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.527 0.203 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.92 129.03 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HE3' HG13 ' A' ' 54' ' ' VAL . 16.1 ttmt -91.41 120.73 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.877 HG11 HG21 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -116.06 167.35 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' HD11 ' A' ' 51' ' ' ILE . 28.2 tttt -135.02 133.74 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 2.2 t -70.77 128.44 90.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -35.06 3.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.042 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 3.9 t0 -84.73 -43.77 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.62 -28.35 56.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' CYS . 6.3 mt-10 66.67 8.15 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -97.36 151.88 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.627 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.35 138.43 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.04 160.34 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.619 HG13 HG21 ' A' ' 54' ' ' VAL . 96.5 t -122.44 114.63 43.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.586 HG21 HG11 ' A' ' 27' ' ' VAL . 1.5 pp . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' CG2' ' A' ' 36' ' ' VAL . 59.5 t -106.37 113.2 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -106.65 134.92 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.3 t -51.9 122.29 8.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 108.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.98 -11.18 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 31' ' ' ILE . 6.0 mm -78.35 -80.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -91.9 -52.42 4.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.242 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.87 32.66 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.07 147.32 23.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.274 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -64.62 124.29 21.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.683 ' CG2' HG12 ' A' ' 27' ' ' VAL . 4.9 m -114.4 -13.0 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.38 137.87 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.877 HG21 HG11 ' A' ' 8' ' ' VAL . 3.7 mp -84.1 116.53 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 35.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.537 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.78 164.91 30.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.09 122.41 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -82.2 139.18 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.453 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.4 mp -95.0 -60.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.1 -168.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -77.88 135.37 37.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.619 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.3 p90 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.468 0.175 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.97 131.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -96.36 120.97 37.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.814 HG11 HG21 ' A' ' 46' ' ' ILE . 8.6 m -120.53 167.34 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.3 tttt -134.92 137.18 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.642 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.6 t -71.04 130.63 87.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.95 3.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -43.63 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.01 -29.46 60.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.1 mt-10 66.62 8.12 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -97.49 151.61 19.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -87.52 138.34 31.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -145.56 146.66 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.04 119.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.596 HG21 HG11 ' A' ' 27' ' ' VAL . 1.8 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.596 HG11 HG21 ' A' ' 19' ' ' ILE . 15.5 t -98.71 113.44 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -109.54 138.78 45.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.2 122.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 108.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 pt -66.91 -10.31 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.8 mm -77.1 -79.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.1 t -96.14 -50.14 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 108.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.65 32.57 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.6 146.35 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -62.62 124.99 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.642 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.6 m -113.04 -29.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.25 138.83 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.347 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.814 HG21 HG11 ' A' ' 8' ' ' VAL . 3.9 mp -85.65 119.01 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.38 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.37 164.4 31.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.78 112.04 9.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.724 HG12 HG12 ' A' ' 8' ' ' VAL . 2.6 mt -81.68 135.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.9 -57.05 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 171.32 -168.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -75.41 143.09 42.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.0 p90 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.439 0.161 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.11 128.72 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.8 ttmt -91.99 120.63 32.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.811 HG12 HG12 ' A' ' 50' ' ' ILE . 6.6 m -118.65 167.36 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -133.95 137.81 45.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.5 t -71.43 131.15 86.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -75.01 -35.58 3.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.416 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . 20.9 m-20 -86.25 -43.21 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.24 -29.51 60.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.4 mt-10 66.45 8.39 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -97.25 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.618 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -88.52 138.48 31.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.03 158.28 43.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG13 HG21 ' A' ' 54' ' ' VAL . 60.9 t -117.14 115.89 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.663 HG21 HG11 ' A' ' 27' ' ' VAL . 1.2 pt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.663 HG11 HG21 ' A' ' 19' ' ' ILE . 57.0 t -107.84 113.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.51 140.15 37.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.9 t -54.63 122.03 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 31' ' ' ILE . 4.0 pt -65.5 -11.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.491 HD13 HG13 ' A' ' 30' ' ' ILE . 9.0 mm -76.19 -77.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.0 t -98.41 -49.42 4.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.02 32.15 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.59 145.73 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -61.41 124.91 21.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.8 m -113.47 -32.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.1 139.31 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.692 HD12 HD11 ' A' ' 50' ' ' ILE . 3.3 mt -82.31 115.11 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.81 38.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.66 163.1 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.9 121.35 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.811 HG12 HG12 ' A' ' 8' ' ' VAL . 3.0 mt -86.2 145.93 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 9' ' ' LYS . 2.0 mp -101.65 -68.54 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.26 -167.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -79.29 139.15 37.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.546 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.8 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.535 0.207 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.43 125.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' CB ' HG22 ' A' ' 54' ' ' VAL . 15.7 ttmt -93.02 121.15 34.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.817 HG11 HG21 ' A' ' 46' ' ' ILE . 10.2 m -121.57 167.06 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 39.7 tttt -133.71 136.95 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.619 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.22 129.8 88.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.95 2.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.3 -42.05 16.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.18 -30.25 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 21.6 mt-10 67.91 7.73 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -97.38 150.77 20.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.578 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -88.43 138.47 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.7 OUTLIER -141.42 160.39 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 54' ' ' VAL . 83.2 t -121.1 115.47 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.347 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 27' ' ' VAL . 2.0 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG22 ' HE2' ' A' ' 28' ' ' LYS . 60.9 mt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.819 HG11 HG21 ' A' ' 19' ' ' ILE . 44.3 t -97.99 113.64 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HE2' HG22 ' A' ' 26' ' ' ILE . 3.9 mtmt -105.15 142.12 35.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.8 t -57.18 122.77 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -65.98 -10.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.442 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.3 mm -78.03 -80.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.35 -51.4 5.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 108.384 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.11 32.95 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.462 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.8 146.11 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -64.51 124.98 23.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.427 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.619 HG12 ' SG ' ' A' ' 10' ' ' CYS . 11.5 m -113.48 -31.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.92 139.37 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.817 HG21 HG11 ' A' ' 8' ' ' VAL . 4.0 mp -85.29 119.64 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 40.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.473 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.76 165.75 27.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -75.13 109.4 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.716 HG12 HG12 ' A' ' 8' ' ' VAL . 3.3 mt -76.15 142.73 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.67 -57.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -171.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -72.26 139.19 47.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.5 0.191 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.431 HG21 HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -145.05 126.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.499 ' CB ' HG22 ' A' ' 54' ' ' VAL . 16.6 ttmt -93.31 120.65 33.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 46' ' ' ILE . 1.1 m -115.61 166.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HB3' HD11 ' A' ' 51' ' ' ILE . 19.7 tttt -135.41 135.13 40.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.586 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.4 t -71.68 127.18 91.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.26 -43.57 17.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.18 -41.98 56.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.314 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 82.56 5.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.224 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -96.92 150.72 20.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -88.01 136.76 32.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.41 157.68 45.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG13 HG21 ' A' ' 54' ' ' VAL . 48.9 t -119.06 121.79 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.859 HG21 HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.859 HG11 HG21 ' A' ' 19' ' ' ILE . 40.1 t -95.49 113.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -107.8 135.54 49.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.4 t -54.45 122.79 11.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.25 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pt -66.18 -10.7 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.7 mm -77.94 -79.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -93.74 -51.74 4.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.16 32.69 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.88 146.06 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -63.63 123.9 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.608 ' CG2' HG12 ' A' ' 27' ' ' VAL . 4.6 m -114.58 -13.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 27' ' ' VAL . . . -163.88 139.38 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.885 HD13 HD11 ' A' ' 50' ' ' ILE . 3.7 mp -84.89 122.31 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 35.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.562 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.67 166.4 25.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.73 117.94 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.885 HD11 HD13 ' A' ' 46' ' ' ILE . 3.0 mt -80.07 130.04 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.3 mp -84.49 -59.56 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.83 -171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -71.05 138.62 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 2.3 p90 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.459 0.171 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.45 125.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.472 ' HB2' HG22 ' A' ' 18' ' ' VAL . 3.9 ttmt -92.57 125.09 37.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.045 HG11 HG21 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -120.29 167.14 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -134.99 131.51 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' HG12 ' A' ' 36' ' ' VAL . 2.0 t -70.46 128.84 90.83 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.358 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -34.96 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -84.74 -40.53 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -79.63 -29.28 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.365 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' CYS . 9.6 mt-10 66.77 8.86 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -97.27 151.51 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.132 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.78 138.32 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -142.12 159.69 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.855 HG13 HG21 ' A' ' 54' ' ' VAL . 60.6 t -123.49 115.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 8' ' ' VAL . 2.4 pt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -114.36 115.0 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.53 141.25 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 t -55.13 122.13 10.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -64.29 -11.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.518 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.0 mm -77.33 -79.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.4 t -93.56 -50.76 5.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.262 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.68 31.74 0.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.97 146.61 24.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -65.43 123.86 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.503 HG12 ' SG ' ' A' ' 10' ' ' CYS . 6.9 m -114.4 -27.33 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.62 137.67 26.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.045 HG21 HG11 ' A' ' 8' ' ' VAL . 3.1 mp -82.19 123.19 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -95.75 38.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.583 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.63 168.1 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.36 110.2 7.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.542 HG12 HG12 ' A' ' 8' ' ' VAL . 2.7 mt -70.81 136.34 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -89.85 -78.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.17 -174.29 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -71.29 134.0 46.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.855 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.459 0.171 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.89 130.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 54' ' ' VAL . 11.7 ttmt -93.69 121.58 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.782 HG11 HG21 ' A' ' 46' ' ' ILE . 5.3 m -118.33 167.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 27.8 tttt -134.89 135.03 41.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.653 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.04 130.18 88.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -84.03 -42.65 15.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.473 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.76 -29.2 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 66.35 8.29 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -97.66 151.08 20.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.562 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -88.2 138.37 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -144.74 155.89 43.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG13 HG21 ' A' ' 54' ' ' VAL . 40.8 t -116.17 120.16 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 27' ' ' VAL . 1.4 pt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.8 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 19' ' ' ILE . 11.6 t -99.86 113.44 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -107.92 139.91 41.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.4 t -57.11 122.35 12.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -67.17 -10.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -77.62 -80.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 -51.27 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.73 32.71 0.5 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.08 147.72 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 m -65.7 124.71 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.653 HG12 ' SG ' ' A' ' 10' ' ' CYS . 9.6 m -113.97 -21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.21 139.81 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.782 HG21 HG11 ' A' ' 8' ' ' VAL . 4.6 mp -85.06 123.2 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.37 40.92 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.36 165.96 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.69 108.18 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.764 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -72.59 125.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.35 -77.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -167.64 -173.09 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -72.15 142.79 49.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.525 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.511 0.196 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.5 130.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HE3' HG13 ' A' ' 54' ' ' VAL . 20.6 ttmt -92.8 120.61 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.779 HG12 HG12 ' A' ' 50' ' ' ILE . 5.4 m -117.85 166.86 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB3' HD11 ' A' ' 51' ' ' ILE . 15.4 tttt -133.38 135.85 44.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.4 t -71.2 130.12 88.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -43.22 13.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.36 -31.47 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' CYS . 19.3 mt-10 68.88 7.26 6.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -97.28 151.17 20.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.603 1.19 . . . . 0.0 109.553 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -87.76 138.15 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.45 158.7 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.63 HG13 HG21 ' A' ' 54' ' ' VAL . 58.0 t -116.85 118.2 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.608 HG12 HG21 ' A' ' 8' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 36' ' ' VAL . 60.5 t -105.15 113.94 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -105.48 139.95 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.7 t -58.83 122.47 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -63.36 -10.66 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 31' ' ' ILE . 2.9 mm -74.54 -80.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -98.0 -41.78 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . 122.84 32.89 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.12 144.07 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 0.81 . . . . 0.0 110.234 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.2 m -61.8 125.6 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.5 m -113.91 -20.18 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.87 139.41 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.664 HG21 HG11 ' A' ' 8' ' ' VAL . 3.6 mt -82.97 112.13 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 38.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.68 162.1 38.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.12 119.71 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.779 HG12 HG12 ' A' ' 8' ' ' VAL . 3.5 mt -83.55 147.38 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.9 mp -105.53 -52.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 168.71 -169.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.391 1.057 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -75.79 146.54 39.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.531 0.205 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -144.67 130.62 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -91.9 120.39 32.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.704 HG12 HG12 ' A' ' 50' ' ' ILE . 13.6 m -117.81 167.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 21.1 tttt -128.07 135.11 49.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.654 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.43 129.45 88.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.541 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -84.12 -44.43 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.88 -31.57 61.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 22.1 mt-10 69.6 6.45 5.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -97.48 151.91 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.21 131.12 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -133.01 162.92 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 54' ' ' VAL . 50.6 t -118.98 113.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.629 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 19' ' ' ILE . 47.4 t -106.5 114.5 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.76 139.86 38.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.4 t -61.93 122.29 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 108.334 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.446 HG13 HD13 ' A' ' 31' ' ' ILE . 2.3 pt -66.61 -10.54 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.446 HD13 HG13 ' A' ' 30' ' ' ILE . 6.5 mm -74.92 -77.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 t -97.78 -48.75 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.236 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 128.95 31.98 0.61 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.15 148.63 22.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.462 0.742 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 38' ' ' GLU . 99.4 m -67.87 125.68 27.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.654 HG12 ' SG ' ' A' ' 10' ' ' CYS . 8.1 m -111.39 -20.27 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.3 136.91 15.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 35' ' ' THR . 3.5 mt-10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.822 HD12 HD11 ' A' ' 50' ' ' ILE . 3.5 mt -82.01 110.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 38.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.86 158.36 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.6 121.17 20.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.822 HD11 HD12 ' A' ' 46' ' ' ILE . 2.5 mt -85.21 145.95 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -105.85 -79.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.669 ' N ' HG22 ' A' ' 51' ' ' ILE . 4.0 pt-20 -154.29 -168.56 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.63 147.64 28.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.69 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 p90 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.525 0.202 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.66 126.81 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 54' ' ' VAL . 22.5 ttmt -91.67 120.14 32.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 46' ' ' ILE . 5.5 m -117.65 167.27 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.592 ' HB3' HD11 ' A' ' 51' ' ' ILE . 11.2 tttt -133.97 136.07 43.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.571 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -70.9 129.99 88.96 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.079 . . . . 0.0 108.346 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.79 -43.81 13.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.53 -31.95 62.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 11.8 mt-10 69.57 7.25 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -96.78 150.81 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.24 138.48 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.1 mt-30 -144.12 153.05 41.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.49 116.39 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.866 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.866 HG11 HG21 ' A' ' 19' ' ' ILE . 31.1 t -98.56 113.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.8 t -57.38 122.24 12.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.427 HG13 HD13 ' A' ' 31' ' ' ILE . 2.0 pt -65.97 -11.03 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.427 HD13 HG13 ' A' ' 30' ' ' ILE . 6.2 mm -75.8 -78.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -96.93 -49.85 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 108.276 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.85 32.01 0.57 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.25 146.95 23.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.346 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 m -63.62 124.97 22.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.571 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.7 m -112.61 -28.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.89 142.47 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.744 HD13 HD11 ' A' ' 50' ' ' ILE . 3.9 mp -85.32 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -98.84 36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.48 165.63 28.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.18 115.95 15.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.744 HD11 HD13 ' A' ' 46' ' ' ILE . 3.3 mt -79.37 133.97 28.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.592 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.8 mp -88.26 -51.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 164.46 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -71.27 137.87 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 7' ' ' LYS . 1.3 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 p90 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -143.57 126.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.2 ttmt -91.4 121.12 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.792 HG12 HG12 ' A' ' 50' ' ' ILE . 10.0 m -120.59 167.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -131.94 137.29 47.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.659 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.6 t -71.16 129.65 88.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -36.29 2.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.426 1.751 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.435 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -83.83 -43.42 15.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.84 -38.95 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 77.76 6.66 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -97.02 151.26 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.83 138.16 31.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.02 156.3 44.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.422 HG13 HG21 ' A' ' 54' ' ' VAL . 44.5 t -114.98 114.23 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.852 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.852 HG11 HG21 ' A' ' 19' ' ' ILE . 36.3 t -104.64 114.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -104.13 142.94 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.0 t -58.09 134.89 56.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.435 HG13 HD13 ' A' ' 31' ' ' ILE . 2.4 pt -77.5 -9.76 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.435 HD13 HG13 ' A' ' 30' ' ' ILE . 7.0 mm -78.62 -81.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.6 t -93.38 -52.34 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.11 34.07 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.488 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.08 150.08 22.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.5 m -68.53 125.54 26.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.659 HG12 ' SG ' ' A' ' 10' ' ' CYS . 15.3 m -113.38 -32.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.76 138.22 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 50' ' ' ILE . 3.3 mt -84.49 112.02 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -92.05 36.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.76 162.33 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -74.79 124.02 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.792 HG12 HG12 ' A' ' 8' ' ' VAL . 4.0 mt -87.15 145.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.1 mp -101.71 -50.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER 168.01 -171.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.21 140.46 50.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.2 p90 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.496 0.188 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.75 125.84 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' CB ' HG22 ' A' ' 54' ' ' VAL . 14.4 ttmt -93.89 120.69 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.824 HG11 HG21 ' A' ' 46' ' ' ILE . 6.2 m -118.6 167.2 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 6.6 tttt -134.93 136.72 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.641 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -70.9 130.66 88.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.274 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -35.69 3.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -40.73 16.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.51 -30.4 47.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 108.291 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 10.4 mt-10 67.64 8.17 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -97.18 150.84 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.658 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -88.45 138.29 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.73 159.34 42.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG13 HG21 ' A' ' 54' ' ' VAL . 48.7 t -118.51 119.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.827 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.827 HG11 HG21 ' A' ' 19' ' ' ILE . 17.9 t -100.91 113.64 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -107.43 138.39 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.5 t -56.23 122.38 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.21 -10.99 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.453 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.2 mm -78.75 -81.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -90.4 -52.04 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.07 30.92 0.6 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.84 147.32 23.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 0.804 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m -62.22 125.78 25.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.641 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.5 m -113.9 -13.12 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.16 138.06 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.824 HG21 HG11 ' A' ' 8' ' ' VAL . 3.3 mp -84.16 115.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 41.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.5 164.84 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.57 113.7 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 8' ' ' VAL . 2.8 mt -81.2 142.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mp -100.18 -49.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER 160.65 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -72.53 141.17 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.519 0.199 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -90.83 130.05 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.61 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -75.24 149.18 38.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -133.03 169.88 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 57' ' ' ILE . 4.6 p90 -98.37 142.24 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.87 132.56 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.582 ' HB2' HG13 ' A' ' 54' ' ' VAL . 14.9 ttmt -94.85 127.0 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.738 HG12 HG12 ' A' ' 50' ' ' ILE . 4.0 m -127.65 166.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 136.04 42.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.643 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.1 t -71.46 128.98 89.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -35.62 3.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.513 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 3.8 m-20 -85.02 -43.1 14.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -75.12 -35.38 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 74.02 6.4 4.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -97.15 151.11 20.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.18 137.53 32.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 8' ' ' VAL . 2.1 mm100 -142.64 160.08 40.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.682 HG13 HG21 ' A' ' 54' ' ' VAL . 84.3 t -120.38 117.91 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.839 HG21 HG11 ' A' ' 27' ' ' VAL . 1.5 pt -128.7 166.59 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -83.72 150.55 25.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -83.76 116.53 22.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 109.246 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 15.4 m80 68.14 64.63 0.63 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.523 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -75.04 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -35.76 4.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.28 160.41 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt -65.59 139.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.839 HG11 HG21 ' A' ' 19' ' ' ILE . 21.5 t -100.56 113.68 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.65 139.05 38.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.6 t -56.81 122.71 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.422 HG13 HD13 ' A' ' 31' ' ' ILE . 2.3 pt -65.25 -10.85 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.422 HD13 HG13 ' A' ' 30' ' ' ILE . 6.3 mm -76.4 -78.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.2 t -96.74 -48.78 5.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.15 32.06 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -89.78 146.65 24.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -61.55 124.61 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.643 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.4 m -112.55 -25.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.84 138.54 19.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.6 OUTLIER -120.92 138.43 27.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -74.99 -17.22 19.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 41' ' ' GLY . 12.1 t 39.01 -159.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.422 ' N ' ' OG1' ' A' ' 40' ' ' THR . . . -83.5 89.44 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.15 139.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 100.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -67.75 144.53 43.77 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -125.33 136.71 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.71 HG21 HG11 ' A' ' 8' ' ' VAL . 4.1 mp -85.02 115.58 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -92.0 39.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 109.22 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -144.88 162.81 35.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.3 114.73 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.234 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.738 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -80.99 136.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.12 -63.01 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.25 -170.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -75.37 148.04 39.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.682 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -99.25 158.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.18 -11.64 49.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.25 88.9 2.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.119 . . . . 0.0 110.227 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.552 HG12 ' CE2' ' A' ' 5' ' ' PHE . 13.2 mt -78.82 170.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' H ' HG22 ' A' ' 57' ' ' ILE . 1.2 tt0 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.167 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.466 0.174 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -81.91 138.86 34.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 t 61.82 132.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.26 170.24 8.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 57' ' ' ILE . 2.8 p90 -103.11 145.88 29.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.91 126.43 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' N ' HG22 ' A' ' 54' ' ' VAL . 16.7 ttmt -91.43 122.78 34.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG11 HG21 ' A' ' 46' ' ' ILE . 8.7 m -123.99 167.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.1 tttt -134.08 133.85 41.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 t -70.81 129.55 89.61 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.19 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -29.13 45.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 108.234 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 66.42 7.94 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -98.28 150.93 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -88.22 137.65 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mm100 -142.76 159.06 42.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.66 HG13 HG21 ' A' ' 54' ' ' VAL . 58.5 t -119.98 115.07 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.566 HG12 HG21 ' A' ' 8' ' ' VAL . 2.0 pt -124.52 166.59 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -83.15 151.46 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.3 p-10 -86.31 122.28 30.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER 65.4 64.86 0.96 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.596 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -74.98 -171.86 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.772 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.1 p -116.5 -35.06 4.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.19 162.16 13.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.47 139.38 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' CG2' ' A' ' 36' ' ' VAL . 59.8 t -101.24 113.59 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -107.16 138.65 42.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.2 t -54.51 122.8 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.64 -11.26 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 31' ' ' ILE . 6.1 mm -77.81 -79.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.78 -51.31 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 108.304 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.39 32.24 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.79 144.42 25.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -60.73 124.86 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.676 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.2 m -114.12 -14.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.11 144.85 9.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.45 138.16 29.68 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.67 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.3 p 42.59 -163.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.77 55.08 0.65 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.66 -55.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.08 107.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.14 130.21 1.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -125.0 142.92 51.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.79 HG21 HG11 ' A' ' 8' ' ' VAL . 3.2 mp -84.69 120.22 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 41.13 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.26 164.91 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -73.9 111.33 8.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.766 HG12 HG12 ' A' ' 8' ' ' VAL . 2.5 mt -80.04 141.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.21 -55.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.71 -166.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -77.03 142.97 39.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.66 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -86.85 174.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.0 -15.0 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -75.25 91.67 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 58' ' ' GLU . 19.4 mt -74.69 170.5 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ttm . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.518 0.199 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -87.72 140.02 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.588 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 m -38.76 118.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -88.63 169.83 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' HE2' HG23 ' A' ' 57' ' ' ILE . 6.2 p90 -96.91 140.15 31.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.43 130.38 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HE3' HG13 ' A' ' 54' ' ' VAL . 19.3 ttmt -91.92 121.53 33.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.784 HG12 HG12 ' A' ' 50' ' ' ILE . 6.3 m -120.66 167.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 16.4 tttt -132.89 134.8 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 3.0 t -71.62 129.38 88.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.14 2.76 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -83.51 -44.24 14.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.27 -31.91 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 108.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' CYS . 19.0 mt-10 69.99 6.7 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -97.38 151.17 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.567 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.44 138.11 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.9 mm100 -143.15 159.96 41.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.699 HG13 HG21 ' A' ' 54' ' ' VAL . 91.5 t -118.86 115.04 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.585 HG12 HG21 ' A' ' 8' ' ' VAL . 1.4 pt -132.23 166.39 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -79.03 149.96 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' HB3' HG11 ' A' ' 6' ' ' VAL . 1.9 p-10 -87.65 116.78 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 2.0 m80 68.44 64.19 0.61 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.1 Cg_endo -74.98 -167.46 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.764 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.45 -35.03 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.57 161.54 14.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.94 139.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 36' ' ' VAL . 17.0 t -102.29 114.22 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -105.21 135.33 46.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.5 t -53.18 135.38 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -77.55 -9.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.0 mm -80.36 -82.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.2 t -90.42 -53.58 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.33 33.89 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.99 149.84 22.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.215 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -63.84 124.4 21.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' HG12 ' A' ' 27' ' ' VAL . 2.9 m -114.29 -14.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 27' ' ' VAL . . . -164.2 137.36 5.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 3.0 mt-10 -123.5 138.03 29.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -74.96 75.2 3.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 p -45.99 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.88 99.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.95 -85.13 0.81 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.34 179.61 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -114.52 151.01 18.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -124.82 141.25 52.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 0.722 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 50' ' ' ILE . 3.8 mt -82.46 114.05 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.29 37.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.74 162.19 38.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.66 118.67 16.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.784 HG12 HG12 ' A' ' 8' ' ' VAL . 3.6 mt -82.89 140.55 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.3 -58.87 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 -172.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -75.88 148.34 38.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.699 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -95.89 167.02 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -94.7 -13.39 25.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -75.45 89.9 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 58' ' ' GLU . 10.3 mt -79.14 169.89 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.495 0.188 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -82.77 136.11 34.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.642 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -39.57 121.48 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -83.77 169.69 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 -111.22 142.53 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 19' ' ' ILE . 1.1 p -143.3 128.72 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' N ' HG22 ' A' ' 54' ' ' VAL . 14.1 ttmt -93.6 127.87 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.803 HG12 HG12 ' A' ' 50' ' ' ILE . 8.3 m -128.44 167.12 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 25.4 tttt -134.89 133.61 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.576 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.7 t -71.11 129.81 88.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.239 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.35 2.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 5.6 t70 -83.77 -42.05 16.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.25 -29.88 54.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 22.9 mt-10 67.05 7.81 5.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -98.1 150.9 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.651 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -88.76 138.21 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.7 mm100 -145.16 157.43 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.76 HG13 HG21 ' A' ' 54' ' ' VAL . 86.4 t -115.75 118.73 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.765 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -129.9 167.21 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -74.28 151.89 39.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.56 -14.01 58.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -156.33 70.87 5.01 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.3 p -116.59 -35.43 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.45 162.75 13.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.14 139.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.765 HG11 HG21 ' A' ' 19' ' ' ILE . 39.8 t -98.1 113.55 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -107.76 140.39 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.1 t -55.59 122.49 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pt -64.97 -11.15 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.51 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -77.73 -80.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.1 t -93.04 -51.27 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.07 32.31 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NE ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.77 145.7 25.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -63.2 125.32 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG12 ' SG ' ' A' ' 10' ' ' CYS . 5.2 m -113.81 -19.81 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -164.53 139.51 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.54 138.25 29.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -75.01 56.25 4.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 45' ' ' ASN . 9.1 t -77.32 151.98 34.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.62 -161.62 4.52 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.53 -57.5 18.65 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.13 141.39 34.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -62.52 144.51 49.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.431 1.082 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.505 ' HB2' HG22 ' A' ' 40' ' ' THR . 1.0 OUTLIER -115.68 128.7 56.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.711 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.762 HG21 HG11 ' A' ' 8' ' ' VAL . 3.1 mp -85.26 122.22 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.52 40.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.502 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.28 165.19 29.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.78 109.85 7.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.803 HG12 HG12 ' A' ' 8' ' ' VAL . 2.7 mt -78.16 145.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.8 mp -102.49 -69.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -169.89 -170.76 1.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -76.12 145.22 40.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.76 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -104.84 178.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.69 -14.01 15.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 94.8 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.576 HG12 ' CE2' ' A' ' 5' ' ' PHE . 6.6 mt -81.02 168.68 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' H ' HG22 ' A' ' 57' ' ' ILE . 1.7 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.538 0.208 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.79 138.58 44.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.546 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m -66.98 149.27 50.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.78 170.56 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 57' ' ' ILE . 4.4 p90 -98.14 143.2 28.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.069 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.59 127.4 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.0 ttmt -94.2 122.74 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.821 HG11 HG21 ' A' ' 46' ' ' ILE . 9.8 m -124.35 167.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.4 tttt -134.27 136.55 43.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' HG12 ' A' ' 36' ' ' VAL . 3.0 t -71.43 130.77 87.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.3 Cg_endo -75.05 -35.76 2.91 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -84.44 -42.64 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.29 -31.41 58.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 108.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 28.2 mt-10 68.83 7.94 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -97.18 150.9 20.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -89.4 138.46 31.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.3 mt-30 -142.86 159.04 43.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.636 HG13 HG21 ' A' ' 54' ' ' VAL . 89.6 t -119.7 114.49 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 8' ' ' VAL . 1.9 pt -126.7 165.97 24.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -86.17 151.76 23.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -82.85 -0.98 50.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 1.7 t60 -142.06 63.99 16.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.2 Cg_endo -75.03 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 1.1 t 89.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.47 162.38 13.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.23 139.29 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -113.84 114.02 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -100.93 141.33 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 t -55.08 122.59 11.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 108.235 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.502 HG13 HD13 ' A' ' 31' ' ' ILE . 3.9 pt -65.96 -10.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.502 HD13 HG13 ' A' ' 30' ' ' ILE . 9.1 mm -77.76 -77.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.96 -51.59 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.223 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.17 30.84 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NH2' ' OD1' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.64 147.17 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 0.796 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -62.47 124.75 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.522 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.3 m -114.35 -34.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -146.25 137.8 24.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.409 1.068 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.75 137.92 32.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.05 2.4 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 40' ' ' THR . 7.3 t -105.25 109.55 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.398 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.64 -118.12 3.38 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.462 1.102 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.32 125.42 8.19 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.2 tttm 72.48 110.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.76 158.47 9.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.06 130.98 53.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.821 HG21 HG11 ' A' ' 8' ' ' VAL . 3.8 mp -85.13 119.03 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -94.15 39.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.378 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.48 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -144.95 165.49 28.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.9 111.82 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.721 HG12 HG12 ' A' ' 8' ' ' VAL . 2.1 mt -82.15 132.03 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 9' ' ' LYS . 2.0 mp -86.97 -59.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.57 -168.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -75.52 145.41 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.636 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -88.5 173.75 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -102.33 -16.88 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -75.45 88.81 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.544 ' HA ' ' CD2' ' A' ' 5' ' ' PHE . 18.2 mt -68.95 170.84 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 57' ' ' ILE . 1.7 tp10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.46 0.171 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.01 139.59 30.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.638 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -43.92 158.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.99 169.74 8.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 57' ' ' ILE . 4.6 p90 -102.5 139.29 38.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.01 130.03 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 54' ' ' VAL . 21.1 ttmt -94.44 120.54 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.805 HG11 HG21 ' A' ' 46' ' ' ILE . 5.3 m -121.79 166.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 47.7 tttt -135.72 135.17 39.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.646 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -71.08 129.76 88.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.269 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.554 1.818 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.523 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 78.9 m-20 -83.55 -40.94 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -31.01 46.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' CYS . 27.3 mt-10 68.87 8.05 6.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -97.16 150.92 20.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.22 138.49 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.447 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.3 mm100 -143.26 160.59 40.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.683 HG13 HG21 ' A' ' 54' ' ' VAL . 57.7 t -121.63 114.12 41.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.58 HG12 HG21 ' A' ' 8' ' ' VAL . 2.0 pt -124.93 166.4 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -94.3 151.18 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -81.71 124.89 29.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 0.9 OUTLIER 68.17 64.17 0.64 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.57 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.554 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.4 Cg_endo -75.03 -29.22 8.41 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER 89.25 -34.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.37 160.75 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.458 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.2 mt -65.21 139.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -110.12 114.74 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -103.06 137.24 41.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.6 t -50.67 138.47 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.447 HG12 ' CG ' ' A' ' 17' ' ' GLN . 2.1 pt -77.49 -9.97 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.4 mm -82.82 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -85.59 -55.17 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.08 32.8 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.523 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -90.35 150.24 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 110.198 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -63.33 124.74 22.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.646 HG12 ' SG ' ' A' ' 10' ' ' CYS . 1.8 m -112.29 -22.57 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.55 137.27 16.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -123.39 138.11 29.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.01 131.45 14.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.531 1.806 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.02 97.35 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.6 -85.75 0.09 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.511 1.132 . . . . 0.0 111.077 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -150.84 42.28 0.75 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' GLY . 1.4 ptpp? -161.42 68.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -37.48 137.99 0.61 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.83 134.4 54.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.805 HG21 HG11 ' A' ' 8' ' ' VAL . 4.9 mp -81.92 119.71 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -95.08 42.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.06 165.98 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -73.29 109.81 7.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.234 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.763 HG12 HG12 ' A' ' 8' ' ' VAL . 3.3 mt -77.19 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -100.43 -69.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 51' ' ' ILE . 1.6 tt0 -174.36 -175.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -71.74 143.47 49.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.683 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -93.05 164.98 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -13.6 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -75.22 90.04 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 5' ' ' PHE . 12.5 mt -81.04 170.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.403 0.144 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -91.81 134.17 34.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.624 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 75.77 127.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.05 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.38 170.1 8.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 -99.62 148.72 24.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.87 127.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.543 ' HE3' HG13 ' A' ' 54' ' ' VAL . 22.5 ttmt -92.4 121.64 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.849 HG11 HG21 ' A' ' 46' ' ' ILE . 9.8 m -122.14 167.55 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 16.3 tttt -135.5 138.5 43.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 3.9 t -71.56 131.14 86.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . 1.1 m-20 -85.07 -42.39 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.99 -30.54 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 108.309 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 67.94 8.18 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -97.1 150.78 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.578 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -87.96 138.79 31.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -142.95 154.73 44.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.568 HG13 HG21 ' A' ' 54' ' ' VAL . 87.8 t -115.23 116.9 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.633 HD11 HG12 ' A' ' 46' ' ' ILE . 1.4 pt -128.4 166.47 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -87.7 152.4 22.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.92 37.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 4.1 t-160 176.98 63.09 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.639 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.3 Cg_endo -74.93 -46.07 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER 88.99 -37.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.16 163.49 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.29 137.47 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.416 HG12 ' CG2' ' A' ' 36' ' ' VAL . 48.6 t -107.91 118.6 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.33 137.63 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.8 t -52.78 138.22 29.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 pt -77.55 -9.99 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.513 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -79.79 -82.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 t -91.96 -52.79 4.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 133.46 34.91 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' NE ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.86 146.92 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.03 124.14 20.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.416 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.8 m -113.79 -17.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.83 137.8 11.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -125.09 136.84 28.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -74.97 59.77 5.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.383 1.728 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 t -58.77 -22.57 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.81 -173.88 22.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.76 -73.87 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.99 41.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 0.787 . . . . 0.0 109.21 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . 59.83 113.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.16 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.36 139.31 30.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.849 HG21 HG11 ' A' ' 8' ' ' VAL . 3.4 mp -84.65 115.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.22 41.67 1.07 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.32 165.5 28.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -73.81 113.1 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 8' ' ' VAL . 2.3 mt -82.58 139.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.35 -58.69 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.232 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.43 -168.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -75.43 143.99 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -89.12 174.11 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.09 -11.85 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -74.42 90.68 2.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.242 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 58' ' ' GLU . 7.5 mt -77.37 171.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.563 ' H ' HG22 ' A' ' 57' ' ' ILE . 2.6 tp10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.543 0.211 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -76.63 140.24 40.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.662 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m 64.45 157.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.94 170.34 9.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.209 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 57' ' ' ILE . 4.5 p90 -112.49 143.9 42.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.874 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -144.56 125.75 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 54' ' ' VAL . 13.7 ttmt -92.28 122.48 34.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.755 HG11 HG21 ' A' ' 46' ' ' ILE . 8.9 m -121.11 167.15 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.575 ' HB3' HD11 ' A' ' 51' ' ' ILE . 21.1 tttt -132.61 137.18 46.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.8 t -71.36 129.29 89.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.32 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.574 1.828 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.22 -42.98 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.25 -39.6 59.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 78.58 6.45 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -97.26 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.545 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.67 138.07 31.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.5 mt-30 -141.92 155.84 45.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 HG21 ' A' ' 54' ' ' VAL . 56.5 t -114.2 114.81 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.559 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -135.45 166.03 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -76.55 150.6 36.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.874 ' HB3' HG11 ' A' ' 6' ' ' VAL . 10.0 p-10 -84.96 0.78 50.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -157.33 63.66 3.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.587 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.4 Cg_endo -74.99 171.86 17.5 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.9 p -113.24 -31.51 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.9 162.32 13.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.7 mt -63.95 139.36 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.559 HG11 HG21 ' A' ' 19' ' ' ILE . 24.3 t -103.86 113.36 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -107.28 138.05 44.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.06 122.1 10.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -66.8 -10.54 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.566 HD13 ' N ' ' A' ' 31' ' ' ILE . 3.7 mm -77.36 -78.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -95.91 -51.01 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.06 32.28 0.5 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.12 146.21 24.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -62.32 124.91 22.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.533 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.1 m -112.44 -20.28 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.43 138.91 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.382 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -124.58 136.09 27.41 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.5 Cg_endo -74.94 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 45' ' ' ASN . 10.8 p -87.63 160.3 18.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.421 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' THR . . . -37.81 -55.05 1.83 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.31 -93.89 0.1 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.5 145.82 47.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -48.54 146.86 5.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.412 ' HB2' HG21 ' A' ' 40' ' ' THR . 0.9 OUTLIER -121.74 131.44 54.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.776 . . . . 0.0 109.238 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.755 HG21 HG11 ' A' ' 8' ' ' VAL . 4.5 mt -82.49 112.24 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 38.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.55 162.8 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.3 118.23 17.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.752 HG12 HG12 ' A' ' 8' ' ' VAL . 3.4 mt -82.53 140.76 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.7 mp -96.91 -50.75 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.28 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -72.52 140.82 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.538 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -78.85 168.51 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 57' ' ' ILE . 2.6 t70 -98.15 -88.21 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.7 OUTLIER -36.04 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.552 HG12 ' CE2' ' A' ' 5' ' ' PHE . 13.1 mt -74.26 170.75 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.518 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.8 136.23 33.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.583 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -109.59 142.5 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.078 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 170.29 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.668 ' HE2' HG23 ' A' ' 57' ' ' ILE . 2.3 p90 -109.76 146.32 35.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -143.92 129.03 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HE3' HG13 ' A' ' 54' ' ' VAL . 16.1 ttmt -91.41 120.73 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.877 HG11 HG21 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -116.06 167.35 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' HD11 ' A' ' 51' ' ' ILE . 28.2 tttt -135.02 133.74 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 2.2 t -70.77 128.44 90.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -35.06 3.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.042 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 3.9 t0 -84.73 -43.77 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.62 -28.35 56.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' CYS . 6.3 mt-10 66.67 8.15 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -97.36 151.88 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.627 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.35 138.43 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.04 160.34 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.619 HG13 HG21 ' A' ' 54' ' ' VAL . 96.5 t -122.44 114.63 43.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 20' ' ' PHE . 1.5 pp -137.26 167.1 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.674 ' O ' HD12 ' A' ' 19' ' ' ILE . 79.9 m-85 -74.76 151.71 39.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.838 ' HA ' HD11 ' A' ' 46' ' ' ILE . 9.5 t70 -85.82 8.01 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -162.28 63.55 1.5 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.579 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -75.02 168.79 24.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.26 -31.07 6.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.042 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.18 162.46 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -64.25 139.48 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' CG2' ' A' ' 36' ' ' VAL . 59.5 t -106.37 113.2 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -106.65 134.92 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.3 t -51.9 122.29 8.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 108.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.98 -11.18 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.429 HD13 ' N ' ' A' ' 31' ' ' ILE . 6.0 mm -78.35 -80.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -91.9 -52.42 4.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.242 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.87 32.66 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.07 147.32 23.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.274 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -64.62 124.29 21.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.683 ' CG2' HG12 ' A' ' 27' ' ' VAL . 4.9 m -114.4 -13.0 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.38 137.87 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.94 138.09 29.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.4 Cg_endo -74.9 77.5 3.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.9 p -58.1 164.84 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.94 -86.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.562 1.164 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.72 -87.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.77 141.65 46.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -41.3 144.9 0.63 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.11 142.81 51.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.877 HG21 HG11 ' A' ' 8' ' ' VAL . 3.7 mp -84.1 116.53 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 35.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.537 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.78 164.91 30.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.09 122.41 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -82.2 139.18 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.453 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.4 mp -95.0 -60.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.1 -168.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -77.88 135.37 37.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.619 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -80.93 173.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.239 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.56 -11.69 16.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.34 90.56 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.668 HG23 ' HE2' ' A' ' 5' ' ' PHE . 3.2 mt -86.57 166.95 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' H ' HG22 ' A' ' 57' ' ' ILE . 23.9 tt0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.461 0.172 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.24 139.73 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -45.34 120.65 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.12 170.53 7.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' A' ' 57' ' ' ILE . 4.3 p90 -93.87 143.19 26.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.511 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.97 131.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -96.36 120.97 37.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.814 HG11 HG21 ' A' ' 46' ' ' ILE . 8.6 m -120.53 167.34 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.3 tttt -134.92 137.18 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.642 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.6 t -71.04 130.63 87.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.95 3.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -43.63 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.01 -29.46 60.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.1 mt-10 66.62 8.12 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -97.49 151.61 19.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -87.52 138.34 31.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -145.56 146.66 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.04 119.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.596 HG21 HG11 ' A' ' 27' ' ' VAL . 1.8 pt -131.04 166.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -77.26 151.58 35.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HB3' HG11 ' A' ' 6' ' ' VAL . 10.0 p-10 -87.08 5.82 35.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.601 1.188 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 2.4 t60 -159.03 62.41 2.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.582 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.1 Cg_endo -75.04 169.54 22.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.3 -32.3 6.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.74 162.61 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.0 mt -64.15 139.36 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.596 HG11 HG21 ' A' ' 19' ' ' ILE . 15.5 t -98.71 113.44 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -109.54 138.78 45.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.2 122.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 108.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 pt -66.91 -10.31 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.8 mm -77.1 -79.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.1 t -96.14 -50.14 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 108.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.65 32.57 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.6 146.35 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -62.62 124.99 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.642 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.6 m -113.04 -29.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.25 138.83 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.2 mt-10 -124.92 138.46 31.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -74.93 -14.7 21.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 t 39.55 50.25 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.34 88.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.26 -128.96 8.09 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 141.29 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 0.71 . . . . 0.0 109.223 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -96.99 132.59 11.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -123.93 128.08 48.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 0.721 . . . . 0.0 109.31 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.814 HG21 HG11 ' A' ' 8' ' ' VAL . 3.9 mp -85.65 119.01 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.38 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.37 164.4 31.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.78 112.04 9.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.724 HG12 HG12 ' A' ' 8' ' ' VAL . 2.6 mt -81.68 135.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.9 -57.05 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 171.32 -168.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -75.41 143.09 42.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -89.72 170.75 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.24 -11.99 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -75.08 92.71 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.698 HD12 ' CE2' ' A' ' 5' ' ' PHE . 4.3 mm -73.5 166.36 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.545 0.212 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -77.83 140.05 39.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.665 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -39.45 138.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 170.02 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.0 p90 -94.07 142.44 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.11 128.72 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.8 ttmt -91.99 120.63 32.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.811 HG12 HG12 ' A' ' 50' ' ' ILE . 6.6 m -118.65 167.36 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -133.95 137.81 45.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.5 t -71.43 131.15 86.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -75.01 -35.58 3.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.416 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . 20.9 m-20 -86.25 -43.21 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.24 -29.51 60.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.4 mt-10 66.45 8.39 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -97.25 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.618 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -88.52 138.48 31.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.03 158.28 43.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG13 HG21 ' A' ' 54' ' ' VAL . 60.9 t -117.14 115.89 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.663 HG21 HG11 ' A' ' 27' ' ' VAL . 1.2 pt -135.2 166.43 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -75.22 151.54 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.598 ' HB3' HG11 ' A' ' 6' ' ' VAL . 2.8 p-10 -87.52 10.46 17.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 54.8 t60 -167.63 63.15 0.64 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.643 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.5 Cg_endo -74.97 172.3 16.63 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.462 1.77 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.7 t -114.02 -32.47 6.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.62 162.25 13.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt -64.54 139.34 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.663 HG11 HG21 ' A' ' 19' ' ' ILE . 57.0 t -107.84 113.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.51 140.15 37.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.9 t -54.63 122.03 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 31' ' ' ILE . 4.0 pt -65.5 -11.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.491 HD13 HG13 ' A' ' 30' ' ' ILE . 9.0 mm -76.19 -77.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.0 t -98.41 -49.42 4.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.02 32.15 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.59 145.73 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -61.41 124.91 21.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.8 m -113.47 -32.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.1 139.31 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -118.73 138.26 25.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.12 21.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.0 p 39.13 46.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.087 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.13 74.76 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.18 -118.31 5.53 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.4 108.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.97 147.9 26.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -123.24 138.82 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.692 HD12 HD11 ' A' ' 50' ' ' ILE . 3.3 mt -82.31 115.11 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.81 38.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.66 163.1 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.9 121.35 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.811 HG12 HG12 ' A' ' 8' ' ' VAL . 3.0 mt -86.2 145.93 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 9' ' ' LYS . 2.0 mp -101.65 -68.54 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.26 -167.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -79.29 139.15 37.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.546 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -79.66 174.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -105.15 -15.94 14.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -75.5 90.8 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 58' ' ' GLU . 18.1 mt -74.11 170.53 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 57' ' ' ILE . 16.7 tp10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.487 0.184 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.3 140.18 31.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.24 159.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.923 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.81 170.17 15.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 110.361 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.8 p90 -103.21 148.5 25.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.43 125.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' CB ' HG22 ' A' ' 54' ' ' VAL . 15.7 ttmt -93.02 121.15 34.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.817 HG11 HG21 ' A' ' 46' ' ' ILE . 10.2 m -121.57 167.06 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 39.7 tttt -133.71 136.95 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.619 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.22 129.8 88.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.95 2.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.3 -42.05 16.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.18 -30.25 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 21.6 mt-10 67.91 7.73 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -97.38 150.77 20.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.578 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -88.43 138.47 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.7 OUTLIER -141.42 160.39 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 54' ' ' VAL . 83.2 t -121.1 115.47 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.347 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 27' ' ' VAL . 2.0 pt -128.23 166.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -84.19 151.58 24.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -84.8 6.84 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.86 67.35 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.3 Cg_endo -75.04 -90.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER 155.92 -37.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.952 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.65 163.02 13.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG22 ' HE2' ' A' ' 28' ' ' LYS . 60.9 mt -63.83 135.59 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.819 HG11 HG21 ' A' ' 19' ' ' ILE . 44.3 t -97.99 113.64 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HE2' HG22 ' A' ' 26' ' ' ILE . 3.9 mtmt -105.15 142.12 35.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.8 t -57.18 122.77 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -65.98 -10.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.442 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.3 mm -78.03 -80.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.35 -51.4 5.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 108.384 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.11 32.95 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.8 146.11 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -64.51 124.98 23.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.427 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.619 HG12 ' SG ' ' A' ' 10' ' ' CYS . 11.5 m -113.48 -31.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.92 139.37 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 5.3 mt-10 -124.23 138.12 30.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.06 -19.12 18.01 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.437 1.756 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.8 t 39.56 47.62 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.14 -139.77 20.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.74 69.28 0.98 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.76 -164.39 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 0.746 . . . . 0.0 109.216 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -173.76 110.55 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.29 133.64 53.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.817 HG21 HG11 ' A' ' 8' ' ' VAL . 4.0 mp -85.29 119.64 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 40.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.473 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.76 165.75 27.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -75.13 109.4 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.716 HG12 HG12 ' A' ' 8' ' ' VAL . 3.3 mt -76.15 142.73 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.67 -57.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -171.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -72.26 139.19 47.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -82.01 175.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.12 -17.62 13.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -75.61 79.33 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' H ' ' A' ' 58' ' ' GLU . 2.0 mt -57.46 170.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' H ' HG22 ' A' ' 57' ' ' ILE . 1.7 tp10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.586 0.231 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -79.47 140.04 37.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.407 1.067 . . . . 0.0 109.632 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 m 63.76 84.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.23 170.09 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -98.8 151.56 20.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.431 HG21 HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -145.05 126.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.499 ' CB ' HG22 ' A' ' 54' ' ' VAL . 16.6 ttmt -93.31 120.65 33.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 46' ' ' ILE . 1.1 m -115.61 166.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HB3' HD11 ' A' ' 51' ' ' ILE . 19.7 tttt -135.41 135.13 40.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.586 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.4 t -71.68 127.18 91.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.26 -43.57 17.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.18 -41.98 56.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.314 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 82.56 5.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.224 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -96.92 150.72 20.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -88.01 136.76 32.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.41 157.68 45.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG13 HG21 ' A' ' 54' ' ' VAL . 48.9 t -119.06 121.79 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.859 HG21 HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -135.15 166.83 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -79.12 151.89 31.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -84.56 8.16 17.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 18.4 p80 -164.67 63.12 1.01 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.582 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.4 Cg_endo -75.03 176.2 10.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.81 -34.06 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.59 162.14 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -64.93 139.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.859 HG11 HG21 ' A' ' 19' ' ' ILE . 40.1 t -95.49 113.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -107.8 135.54 49.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.4 t -54.45 122.79 11.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.25 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pt -66.18 -10.7 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.436 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.7 mm -77.94 -79.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -93.74 -51.74 4.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.16 32.69 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.88 146.06 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -63.63 123.9 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.608 ' CG2' HG12 ' A' ' 27' ' ' VAL . 4.6 m -114.58 -13.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 27' ' ' VAL . . . -163.88 139.38 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -126.7 135.13 26.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.2 Cg_endo -75.04 67.54 5.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.798 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 43' ' ' LYS . 11.7 t -39.94 158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.8 -54.23 1.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.74 -123.05 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' O ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER -87.41 138.79 31.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -42.36 139.56 2.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.97 134.88 54.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.885 HD13 HD11 ' A' ' 50' ' ' ILE . 3.7 mp -84.89 122.31 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 35.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.562 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.67 166.4 25.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.73 117.94 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.885 HD11 HD13 ' A' ' 46' ' ' ILE . 3.0 mt -80.07 130.04 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.3 mp -84.49 -59.56 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.83 -171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -71.05 138.62 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -86.11 171.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.42 -16.54 14.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -75.28 75.49 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.528 HG22 ' H ' ' A' ' 58' ' ' GLU . 1.3 mt -55.68 170.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.516 0.198 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -74.66 138.62 43.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -42.53 160.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.56 170.45 10.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.576 ' CE2' HG12 ' A' ' 57' ' ' ILE . 2.3 p90 -112.2 137.97 49.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.45 125.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' HB2' HG22 ' A' ' 18' ' ' VAL . 3.9 ttmt -92.57 125.09 37.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.045 HG11 HG21 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -120.29 167.14 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -134.99 131.51 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' HG12 ' A' ' 36' ' ' VAL . 2.0 t -70.46 128.84 90.83 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.358 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -34.96 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -84.74 -40.53 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -79.63 -29.28 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.365 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' CYS . 9.6 mt-10 66.77 8.86 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -97.27 151.51 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.132 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.78 138.32 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -142.12 159.69 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.855 HG13 HG21 ' A' ' 54' ' ' VAL . 60.6 t -123.49 115.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 8' ' ' VAL . 2.4 pt -125.84 167.02 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -86.64 152.73 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -87.71 34.9 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.457 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 61.6 t-80 -176.06 61.63 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.588 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.2 Cg_endo -75.07 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 1.6 t 89.33 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.2 162.79 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.99 138.94 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -114.36 115.0 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.53 141.25 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 t -55.13 122.13 10.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -64.29 -11.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.518 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.0 mm -77.33 -79.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.4 t -93.56 -50.76 5.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.262 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.68 31.74 0.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.97 146.61 24.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -65.43 123.86 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.503 HG12 ' SG ' ' A' ' 10' ' ' CYS . 6.9 m -114.4 -27.33 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.62 137.67 26.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.76 138.54 30.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.5 Cg_endo -74.99 -13.56 21.39 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.581 1.832 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.7 t 39.28 36.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.86 83.08 0.05 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.39 -125.56 6.77 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 127.76 20.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 0.786 . . . . 0.0 109.227 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -83.77 133.65 12.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.162 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.89 135.98 53.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.045 HG21 HG11 ' A' ' 8' ' ' VAL . 3.1 mp -82.19 123.19 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -95.75 38.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.583 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.63 168.1 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.36 110.2 7.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.542 HG12 HG12 ' A' ' 8' ' ' VAL . 2.7 mt -70.81 136.34 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -89.85 -78.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.17 -174.29 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -71.29 134.0 46.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.855 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -86.59 175.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.6 -16.64 14.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 93.64 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.576 HG12 ' CE2' ' A' ' 5' ' ' PHE . 4.2 mt -82.93 167.42 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.434 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.512 0.196 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 7.3 m-70 -74.04 139.98 45.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' HIS . 0.4 OUTLIER -37.94 155.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.74 170.04 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 -101.53 141.86 33.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.476 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.89 130.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 54' ' ' VAL . 11.7 ttmt -93.69 121.58 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG11 HG21 ' A' ' 46' ' ' ILE . 5.3 m -118.33 167.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 27.8 tttt -134.89 135.03 41.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.653 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.04 130.18 88.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -84.03 -42.65 15.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.76 -29.2 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 66.35 8.29 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -97.66 151.08 20.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.562 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -88.2 138.37 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -144.74 155.89 43.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG13 HG21 ' A' ' 54' ' ' VAL . 40.8 t -116.17 120.16 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 27' ' ' VAL . 1.4 pt -132.39 166.81 28.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -75.32 151.31 38.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB3' HG11 ' A' ' 6' ' ' VAL . 9.6 p-10 -87.62 12.14 13.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.7 OUTLIER -171.25 63.57 0.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.583 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.6 Cg_endo -74.96 176.46 9.88 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.492 1.785 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.5 p -114.92 -33.83 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.62 162.13 13.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.37 139.4 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 19' ' ' ILE . 11.6 t -99.86 113.44 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -107.92 139.91 41.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.4 t -57.11 122.35 12.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -67.17 -10.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 31' ' ' ILE . 4.1 mm -77.62 -80.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 -51.27 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.73 32.71 0.5 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.08 147.72 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 m -65.7 124.71 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.653 HG12 ' SG ' ' A' ' 10' ' ' CYS . 9.6 m -113.97 -21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.21 139.81 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -124.97 115.47 26.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.1 Cg_endo -75.0 57.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.3 133.94 39.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.46 -113.04 2.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.74 -64.43 0.64 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 134.75 54.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -89.49 139.1 14.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.568 1.168 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.22 130.56 53.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 109.272 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.782 HG21 HG11 ' A' ' 8' ' ' VAL . 4.6 mp -85.06 123.2 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.37 40.92 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.36 165.96 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.69 108.18 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.764 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -72.59 125.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.35 -77.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -167.64 -173.09 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -72.15 142.79 49.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.525 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.41 156.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' ILE . 11.0 t0 -88.04 -85.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' ASP . 1.1 mt-30 -36.5 96.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 58' ' ' GLU . 16.9 mt -67.25 170.68 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.547 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' SER . 17.4 p80 -86.84 140.0 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.443 ' HA ' ' NE2' ' A' ' 22' ' ' HIS . 2.8 t -38.09 108.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.01 170.36 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.671 ' HE2' HG23 ' A' ' 57' ' ' ILE . 3.3 p90 -105.15 143.31 33.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.5 130.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HE3' HG13 ' A' ' 54' ' ' VAL . 20.6 ttmt -92.8 120.61 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.779 HG12 HG12 ' A' ' 50' ' ' ILE . 5.4 m -117.85 166.86 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB3' HD11 ' A' ' 51' ' ' ILE . 15.4 tttt -133.38 135.85 44.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.4 t -71.2 130.12 88.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -43.22 13.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.36 -31.47 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' CYS . 19.3 mt-10 68.88 7.26 6.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -97.28 151.17 20.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.603 1.19 . . . . 0.0 109.553 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -87.76 138.15 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.45 158.7 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.63 HG13 HG21 ' A' ' 54' ' ' VAL . 58.0 t -116.85 118.2 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.608 HG12 HG21 ' A' ' 8' ' ' VAL . 1.1 pt -136.56 166.77 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -74.52 151.85 39.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.569 ' HB3' HG11 ' A' ' 6' ' ' VAL . 2.8 p-10 -89.7 19.49 4.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.444 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -176.97 62.23 0.19 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.577 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.3 Cg_endo -74.87 170.35 20.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 m -111.61 -32.01 6.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.045 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.34 162.84 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.94 138.98 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 36' ' ' VAL . 60.5 t -105.15 113.94 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -105.48 139.95 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.7 t -58.83 122.47 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -63.36 -10.66 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 31' ' ' ILE . 2.9 mm -74.54 -80.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -98.0 -41.78 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . 122.84 32.89 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.12 144.07 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 0.81 . . . . 0.0 110.234 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.2 m -61.8 125.6 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.5 m -113.91 -20.18 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.87 139.41 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.78 138.2 25.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.96 -8.58 20.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' PRO . 28.6 p 37.16 51.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.85 -68.44 1.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.58 -115.91 4.12 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.82 121.25 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.59 150.56 33.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -124.58 137.55 54.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.664 HG21 HG11 ' A' ' 8' ' ' VAL . 3.6 mt -82.97 112.13 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 38.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.68 162.1 38.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.12 119.71 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.779 HG12 HG12 ' A' ' 8' ' ' VAL . 3.5 mt -83.55 147.38 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.9 mp -105.53 -52.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 168.71 -169.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.391 1.057 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -75.79 146.54 39.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -94.22 172.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -98.72 -15.89 19.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.69 93.62 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.671 HG23 ' HE2' ' A' ' 5' ' ' PHE . 7.7 mt -85.07 167.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.517 0.199 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -83.49 139.98 32.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.606 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 2' ' ' HIS . 25.1 p -38.68 147.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.064 . . . . 0.0 110.012 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 169.31 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 -94.36 142.03 27.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.167 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -144.67 130.62 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -91.9 120.39 32.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.704 HG12 HG12 ' A' ' 50' ' ' ILE . 13.6 m -117.81 167.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 21.1 tttt -128.07 135.11 49.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.654 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.43 129.45 88.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.541 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -84.12 -44.43 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.88 -31.57 61.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 22.1 mt-10 69.6 6.45 5.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -97.48 151.91 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.21 131.12 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -133.01 162.92 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 54' ' ' VAL . 50.6 t -118.98 113.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.629 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -138.85 166.07 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -83.86 147.49 27.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.657 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -82.33 112.42 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.446 ' HA ' ' CA ' ' A' ' 44' ' ' GLY . 2.4 m-70 71.2 65.17 0.41 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.659 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.7 p -117.04 -35.63 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.974 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.26 161.87 13.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.0 mt -64.85 139.45 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 19' ' ' ILE . 47.4 t -106.5 114.5 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.76 139.86 38.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.4 t -61.93 122.29 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 108.334 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.446 HG13 HD13 ' A' ' 31' ' ' ILE . 2.3 pt -66.61 -10.54 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.446 HD13 HG13 ' A' ' 30' ' ' ILE . 6.5 mm -74.92 -77.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 t -97.78 -48.75 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.236 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 128.95 31.98 0.61 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.15 148.63 22.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.462 0.742 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 38' ' ' GLU . 99.4 m -67.87 125.68 27.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.654 HG12 ' SG ' ' A' ' 10' ' ' CYS . 8.1 m -111.39 -20.27 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.3 136.91 15.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 35' ' ' THR . 3.5 mt-10 -121.58 133.86 24.38 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -75.03 98.48 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 t -88.88 163.09 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.33 101.63 0.1 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.37 90.9 1.28 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.4 mttt 66.28 135.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 22' ' ' HIS . . . -67.97 166.78 43.41 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.44 130.9 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.751 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.822 HD12 HD11 ' A' ' 50' ' ' ILE . 3.5 mt -82.01 110.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 38.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.86 158.36 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.6 121.17 20.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.822 HD11 HD12 ' A' ' 46' ' ' ILE . 2.5 mt -85.21 145.95 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -105.85 -79.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.669 ' N ' HG22 ' A' ' 51' ' ' ILE . 4.0 pt-20 -154.29 -168.56 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.63 147.64 28.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.69 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.9 175.2 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.96 -10.46 18.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.535 ' NE2' HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -74.84 89.12 2.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.514 HG22 ' H ' ' A' ' 58' ' ' GLU . 8.1 mt -80.5 169.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mtt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.502 0.192 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -71.02 140.16 50.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.603 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 p -38.24 151.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -85.28 170.01 13.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.68 ' CE1' ' CD1' ' A' ' 57' ' ' ILE . 14.0 p90 -102.24 137.76 40.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -143.66 126.81 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 54' ' ' VAL . 22.5 ttmt -91.67 120.14 32.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 46' ' ' ILE . 5.5 m -117.65 167.27 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.592 ' HB3' HD11 ' A' ' 51' ' ' ILE . 11.2 tttt -133.97 136.07 43.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.571 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -70.9 129.99 88.96 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.079 . . . . 0.0 108.346 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.79 -43.81 13.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.53 -31.95 62.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 11.8 mt-10 69.57 7.25 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -96.78 150.81 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.24 138.48 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.1 mt-30 -144.12 153.05 41.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.49 116.39 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.866 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -130.23 166.83 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -79.09 151.57 31.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HB3' HG11 ' A' ' 6' ' ' VAL . 44.2 p-10 -85.81 2.13 46.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 9.6 t-80 -160.23 62.3 1.77 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.583 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.5 Cg_endo -74.91 174.89 11.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.562 1.822 . . . . 0.0 110.983 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 p -113.95 -33.17 5.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.4 162.76 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.81 138.07 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.866 HG11 HG21 ' A' ' 19' ' ' ILE . 31.1 t -98.56 113.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.8 t -57.38 122.24 12.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.427 HG13 HD13 ' A' ' 31' ' ' ILE . 2.0 pt -65.97 -11.03 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.427 HD13 HG13 ' A' ' 30' ' ' ILE . 6.2 mm -75.8 -78.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -96.93 -49.85 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 108.276 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.85 32.01 0.57 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.25 146.95 23.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.346 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 m -63.62 124.97 22.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.571 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.7 m -112.61 -28.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.89 142.47 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.45 132.08 24.22 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 68.84 5.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.8 p -45.87 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.34 -102.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.41 -97.52 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 144.93 55.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 0.777 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.11 155.19 22.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.07 131.49 53.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.744 HD13 HD11 ' A' ' 50' ' ' ILE . 3.9 mp -85.32 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -98.84 36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.48 165.63 28.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.18 115.95 15.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.744 HD11 HD13 ' A' ' 46' ' ' ILE . 3.3 mt -79.37 133.97 28.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.592 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.8 mp -88.26 -51.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 164.46 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -71.27 137.87 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.3 t -71.29 176.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' H ' HG12 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -109.61 -83.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 56' ' ' GLN . 3.6 tt0 -65.12 92.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.68 ' CD1' ' CE1' ' A' ' 5' ' ' PHE . 41.9 mt -61.18 169.95 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.561 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.477 0.18 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -91.23 140.12 30.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.584 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 68.6 158.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.461 HH21 ' HE1' ' A' ' 53' ' ' TYR . 17.6 ttp-105 -94.95 168.99 10.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.688 ' CE1' ' CD1' ' A' ' 57' ' ' ILE . 19.4 p90 -97.54 136.66 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -143.57 126.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.2 ttmt -91.4 121.12 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.792 HG12 HG12 ' A' ' 50' ' ' ILE . 10.0 m -120.59 167.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -131.94 137.29 47.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.659 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.6 t -71.16 129.65 88.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -36.29 2.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.426 1.751 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -83.83 -43.42 15.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.84 -38.95 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 77.76 6.66 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -97.02 151.26 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.83 138.16 31.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.02 156.3 44.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.422 HG13 HG21 ' A' ' 54' ' ' VAL . 44.5 t -114.98 114.23 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.852 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -132.65 165.91 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -75.4 151.52 38.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.803 ' HB3' HG11 ' A' ' 6' ' ' VAL . 20.1 p-10 -86.21 -2.97 58.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.227 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.6 t60 -156.72 63.15 3.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.6 Cg_endo -74.87 177.81 8.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 p -115.21 -33.8 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.63 162.45 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.631 1.207 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt -64.77 139.93 20.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.852 HG11 HG21 ' A' ' 19' ' ' ILE . 36.3 t -104.64 114.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -104.13 142.94 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.0 t -58.09 134.89 56.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.435 HG13 HD13 ' A' ' 31' ' ' ILE . 2.4 pt -77.5 -9.76 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.435 HD13 HG13 ' A' ' 30' ' ' ILE . 7.0 mm -78.62 -81.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.6 t -93.38 -52.34 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.11 34.07 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.08 150.08 22.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.5 m -68.53 125.54 26.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.659 HG12 ' SG ' ' A' ' 10' ' ' CYS . 15.3 m -113.38 -32.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.76 138.22 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.6 132.06 23.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.2 Cg_endo -75.0 98.1 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.443 1.76 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.3 p -69.11 -7.29 34.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.99 -73.17 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.99 87.18 1.35 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER 73.29 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 0.811 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -37.72 157.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.65 131.39 56.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 0.715 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 50' ' ' ILE . 3.3 mt -84.49 112.02 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -92.05 36.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.76 162.33 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -74.79 124.02 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.792 HG12 HG12 ' A' ' 8' ' ' VAL . 4.0 mt -87.15 145.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.1 mp -101.71 -50.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER 168.01 -171.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.461 ' HE1' HH21 ' A' ' 4' ' ' ARG . 23.7 m-85 -71.21 140.46 50.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -72.24 163.62 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 9.5 t0 -98.18 -88.6 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.49 92.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.688 ' CD1' ' CE1' ' A' ' 5' ' ' PHE . 37.7 mt -62.67 170.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.553 ' N ' HG22 ' A' ' 57' ' ' ILE . 4.9 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.449 0.166 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -92.59 140.51 29.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -37.29 142.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -105.01 170.58 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.2 p90 -103.05 150.03 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.75 125.84 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' CB ' HG22 ' A' ' 54' ' ' VAL . 14.4 ttmt -93.89 120.69 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.824 HG11 HG21 ' A' ' 46' ' ' ILE . 6.2 m -118.6 167.2 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 6.6 tttt -134.93 136.72 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.641 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -70.9 130.66 88.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.274 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -35.69 3.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -40.73 16.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.51 -30.4 47.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 108.291 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 10.4 mt-10 67.64 8.17 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -97.18 150.84 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.658 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -88.45 138.29 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.73 159.34 42.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG13 HG21 ' A' ' 54' ' ' VAL . 48.7 t -118.51 119.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.827 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -133.72 166.65 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -78.81 151.65 31.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -82.86 -9.96 59.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 57.9 t-80 -144.42 63.44 11.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.597 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -75.05 166.96 28.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.2 t -113.67 -31.58 6.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.81 161.98 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.611 1.194 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -64.98 139.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.261 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.827 HG11 HG21 ' A' ' 19' ' ' ILE . 17.9 t -100.91 113.64 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -107.43 138.39 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.5 t -56.23 122.38 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.21 -10.99 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.453 HD13 ' N ' ' A' ' 31' ' ' ILE . 5.2 mm -78.75 -81.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -90.4 -52.04 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.07 30.92 0.6 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.84 147.32 23.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 0.804 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m -62.22 125.78 25.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.5 m -113.9 -13.12 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.16 138.06 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -125.06 134.38 25.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.02 58.78 5.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 40' ' ' THR . 7.6 t -37.81 112.27 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.35 -98.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.9 -57.88 0.68 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -70.27 165.27 22.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -113.63 130.43 9.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.79 129.49 56.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.313 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.824 HG21 HG11 ' A' ' 8' ' ' VAL . 3.3 mp -84.16 115.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 41.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.5 164.84 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.57 113.7 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 8' ' ' VAL . 2.8 mt -81.2 142.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mp -100.18 -49.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER 160.65 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -72.53 141.17 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -85.28 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.27 -17.6 14.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.37 82.81 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.527 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . 3.7 mt -62.16 170.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p90 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.463 0.173 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.87 132.56 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.582 ' HB2' HG13 ' A' ' 54' ' ' VAL . 14.9 ttmt -94.85 127.0 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.738 HG12 HG12 ' A' ' 50' ' ' ILE . 4.0 m -127.65 166.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 136.04 42.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.643 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.1 t -71.46 128.98 89.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -35.62 3.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.513 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 3.8 m-20 -85.02 -43.1 14.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -75.12 -35.38 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 74.02 6.4 4.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -97.15 151.11 20.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.18 137.53 32.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 8' ' ' VAL . 2.1 mm100 -142.64 160.08 40.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.682 HG13 HG21 ' A' ' 54' ' ' VAL . 84.3 t -120.38 117.91 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.839 HG21 HG11 ' A' ' 27' ' ' VAL . 1.5 pt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.839 HG11 HG21 ' A' ' 19' ' ' ILE . 21.5 t -100.56 113.68 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.65 139.05 38.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.6 t -56.81 122.71 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.422 HG13 HD13 ' A' ' 31' ' ' ILE . 2.3 pt -65.25 -10.85 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.422 HD13 HG13 ' A' ' 30' ' ' ILE . 6.3 mm -76.4 -78.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.2 t -96.74 -48.78 5.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.15 32.06 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -89.78 146.65 24.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -61.55 124.61 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.643 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.4 m -112.55 -25.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.84 138.54 19.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.71 HG21 HG11 ' A' ' 8' ' ' VAL . 4.1 mp -85.02 115.58 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -92.0 39.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 109.22 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -144.88 162.81 35.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.3 114.73 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.234 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.738 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -80.99 136.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.12 -63.01 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.25 -170.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -75.37 148.04 39.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.682 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.571 0.224 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.91 126.43 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.478 ' N ' HG22 ' A' ' 54' ' ' VAL . 16.7 ttmt -91.43 122.78 34.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG11 HG21 ' A' ' 46' ' ' ILE . 8.7 m -123.99 167.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.1 tttt -134.08 133.85 41.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 t -70.81 129.55 89.61 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.19 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -29.13 45.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 108.234 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 66.42 7.94 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -98.28 150.93 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -88.22 137.65 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mm100 -142.76 159.06 42.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.66 HG13 HG21 ' A' ' 54' ' ' VAL . 58.5 t -119.98 115.07 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.566 HG12 HG21 ' A' ' 8' ' ' VAL . 2.0 pt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' CG2' ' A' ' 36' ' ' VAL . 59.8 t -101.24 113.59 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -107.16 138.65 42.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.2 t -54.51 122.8 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.64 -11.26 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 31' ' ' ILE . 6.1 mm -77.81 -79.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.78 -51.31 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 108.304 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.39 32.24 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.79 144.42 25.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -60.73 124.86 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.676 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.2 m -114.12 -14.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.11 144.85 9.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.79 HG21 HG11 ' A' ' 8' ' ' VAL . 3.2 mp -84.69 120.22 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 41.13 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.26 164.91 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -73.9 111.33 8.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.766 HG12 HG12 ' A' ' 8' ' ' VAL . 2.5 mt -80.04 141.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.21 -55.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.71 -166.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -77.03 142.97 39.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.66 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.532 0.205 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.43 130.38 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HE3' HG13 ' A' ' 54' ' ' VAL . 19.3 ttmt -91.92 121.53 33.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.784 HG12 HG12 ' A' ' 50' ' ' ILE . 6.3 m -120.66 167.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 16.4 tttt -132.89 134.8 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 3.0 t -71.62 129.38 88.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.14 2.76 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.484 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -83.51 -44.24 14.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.27 -31.91 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 108.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' CYS . 19.0 mt-10 69.99 6.7 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -97.38 151.17 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.567 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.44 138.11 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.9 mm100 -143.15 159.96 41.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.699 HG13 HG21 ' A' ' 54' ' ' VAL . 91.5 t -118.86 115.04 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.585 HG12 HG21 ' A' ' 8' ' ' VAL . 1.4 pt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 36' ' ' VAL . 17.0 t -102.29 114.22 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -105.21 135.33 46.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.5 t -53.18 135.38 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -77.55 -9.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.0 mm -80.36 -82.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.2 t -90.42 -53.58 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.33 33.89 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.99 149.84 22.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.215 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -63.84 124.4 21.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' HG12 ' A' ' 27' ' ' VAL . 2.9 m -114.29 -14.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 27' ' ' VAL . . . -164.2 137.36 5.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 50' ' ' ILE . 3.8 mt -82.46 114.05 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.29 37.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.74 162.19 38.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.66 118.67 16.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.784 HG12 HG12 ' A' ' 8' ' ' VAL . 3.6 mt -82.89 140.55 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.3 -58.87 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 -172.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -75.88 148.34 38.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.699 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.57 0.224 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 19' ' ' ILE . 1.1 p -143.3 128.72 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.484 ' N ' HG22 ' A' ' 54' ' ' VAL . 14.1 ttmt -93.6 127.87 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.803 HG12 HG12 ' A' ' 50' ' ' ILE . 8.3 m -128.44 167.12 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 25.4 tttt -134.89 133.61 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.576 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.7 t -71.11 129.81 88.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.239 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.35 2.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 5.6 t70 -83.77 -42.05 16.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.25 -29.88 54.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 22.9 mt-10 67.05 7.81 5.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -98.1 150.9 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.651 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -88.76 138.21 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.7 mm100 -145.16 157.43 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.76 HG13 HG21 ' A' ' 54' ' ' VAL . 86.4 t -115.75 118.73 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.765 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.765 HG11 HG21 ' A' ' 19' ' ' ILE . 39.8 t -98.1 113.55 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -107.76 140.39 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.1 t -55.59 122.49 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pt -64.97 -11.15 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.1 mm -77.73 -80.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.1 t -93.04 -51.27 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.07 32.31 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NE ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.77 145.7 25.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -63.2 125.32 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.576 HG12 ' SG ' ' A' ' 10' ' ' CYS . 5.2 m -113.81 -19.81 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -164.53 139.51 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.762 HG21 HG11 ' A' ' 8' ' ' VAL . 3.1 mp -85.26 122.22 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.52 40.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.502 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.28 165.19 29.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.78 109.85 7.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.803 HG12 HG12 ' A' ' 8' ' ' VAL . 2.7 mt -78.16 145.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.8 mp -102.49 -69.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -169.89 -170.76 1.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -76.12 145.22 40.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.76 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.4 p90 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.482 0.182 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.59 127.4 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.0 ttmt -94.2 122.74 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.821 HG11 HG21 ' A' ' 46' ' ' ILE . 9.8 m -124.35 167.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.4 tttt -134.27 136.55 43.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' HG12 ' A' ' 36' ' ' VAL . 3.0 t -71.43 130.77 87.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.3 Cg_endo -75.05 -35.76 2.91 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.439 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -84.44 -42.64 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.29 -31.41 58.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 108.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 28.2 mt-10 68.83 7.94 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -97.18 150.9 20.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -89.4 138.46 31.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.3 mt-30 -142.86 159.04 43.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.636 HG13 HG21 ' A' ' 54' ' ' VAL . 89.6 t -119.7 114.49 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 8' ' ' VAL . 1.9 pt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -113.84 114.02 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -100.93 141.33 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 t -55.08 122.59 11.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 108.235 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.502 HG13 HD13 ' A' ' 31' ' ' ILE . 3.9 pt -65.96 -10.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.502 HD13 HG13 ' A' ' 30' ' ' ILE . 9.1 mm -77.76 -77.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.96 -51.59 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.223 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.17 30.84 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NH2' ' OD1' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.64 147.17 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 0.796 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -62.47 124.75 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.522 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.3 m -114.35 -34.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -146.25 137.8 24.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.409 1.068 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.821 HG21 HG11 ' A' ' 8' ' ' VAL . 3.8 mp -85.13 119.03 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -94.15 39.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.378 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.48 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -144.95 165.49 28.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.9 111.82 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.721 HG12 HG12 ' A' ' 8' ' ' VAL . 2.1 mt -82.15 132.03 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 9' ' ' LYS . 2.0 mp -86.97 -59.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.57 -168.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -75.52 145.41 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.636 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p90 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.481 0.182 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.01 130.03 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 54' ' ' VAL . 21.1 ttmt -94.44 120.54 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.805 HG11 HG21 ' A' ' 46' ' ' ILE . 5.3 m -121.79 166.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 47.7 tttt -135.72 135.17 39.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.646 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -71.08 129.76 88.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.269 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.554 1.818 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.523 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 78.9 m-20 -83.55 -40.94 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -31.01 46.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' CYS . 27.3 mt-10 68.87 8.05 6.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -97.16 150.92 20.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.22 138.49 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.447 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.3 mm100 -143.26 160.59 40.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.683 HG13 HG21 ' A' ' 54' ' ' VAL . 57.7 t -121.63 114.12 41.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.58 HG12 HG21 ' A' ' 8' ' ' VAL . 2.0 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.2 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -110.12 114.74 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -103.06 137.24 41.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.6 t -50.67 138.47 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.447 HG12 ' CG ' ' A' ' 17' ' ' GLN . 2.1 pt -77.49 -9.97 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.4 mm -82.82 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -85.59 -55.17 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.08 32.8 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.523 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -90.35 150.24 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 110.198 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -63.33 124.74 22.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.646 HG12 ' SG ' ' A' ' 10' ' ' CYS . 1.8 m -112.29 -22.57 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.55 137.27 16.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.805 HG21 HG11 ' A' ' 8' ' ' VAL . 4.9 mp -81.92 119.71 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -95.08 42.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.06 165.98 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -73.29 109.81 7.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.234 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.763 HG12 HG12 ' A' ' 8' ' ' VAL . 3.3 mt -77.19 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -100.43 -69.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 51' ' ' ILE . 1.6 tt0 -174.36 -175.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -71.74 143.47 49.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.683 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.526 0.203 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.87 127.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.543 ' HE3' HG13 ' A' ' 54' ' ' VAL . 22.5 ttmt -92.4 121.64 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.849 HG11 HG21 ' A' ' 46' ' ' ILE . 9.8 m -122.14 167.55 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.444 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 16.3 tttt -135.5 138.5 43.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 3.9 t -71.56 131.14 86.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . 1.1 m-20 -85.07 -42.39 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.99 -30.54 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 108.309 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 67.94 8.18 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -97.1 150.78 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.578 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -87.96 138.79 31.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.95 154.73 44.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.568 HG13 HG21 ' A' ' 54' ' ' VAL . 87.8 t -115.23 116.9 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.633 HD11 HG12 ' A' ' 46' ' ' ILE . 1.4 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.416 HG12 ' CG2' ' A' ' 36' ' ' VAL . 48.6 t -107.91 118.6 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.33 137.63 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.8 t -52.78 138.22 29.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG12 ' NE2' ' A' ' 17' ' ' GLN . 1.4 pt -77.55 -9.99 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.513 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.1 mm -79.79 -82.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 t -91.96 -52.79 4.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 133.46 34.91 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' NE ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.86 146.92 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.03 124.14 20.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.416 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.8 m -113.79 -17.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.83 137.8 11.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.849 HG21 HG11 ' A' ' 8' ' ' VAL . 3.4 mp -84.65 115.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.22 41.67 1.07 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.32 165.5 28.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -73.81 113.1 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 8' ' ' VAL . 2.3 mt -82.58 139.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.35 -58.69 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.232 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.43 -168.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -75.43 143.99 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.5 p90 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.496 0.189 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -144.56 125.75 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 54' ' ' VAL . 13.7 ttmt -92.28 122.48 34.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.755 HG11 HG21 ' A' ' 46' ' ' ILE . 8.9 m -121.11 167.15 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.575 ' HB3' HD11 ' A' ' 51' ' ' ILE . 21.1 tttt -132.61 137.18 46.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.8 t -71.36 129.29 89.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.32 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.574 1.828 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.22 -42.98 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.25 -39.6 59.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 78.58 6.45 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -97.26 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.545 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.67 138.07 31.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.5 mt-30 -141.92 155.84 45.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 HG21 ' A' ' 54' ' ' VAL . 56.5 t -114.2 114.81 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.559 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.7 mt . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.559 HG11 HG21 ' A' ' 19' ' ' ILE . 24.3 t -103.86 113.36 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -107.28 138.05 44.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.06 122.1 10.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -66.8 -10.54 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.566 ' N ' HD13 ' A' ' 31' ' ' ILE . 3.7 mm -77.36 -78.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -95.91 -51.01 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.06 32.28 0.5 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.12 146.21 24.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -62.32 124.91 22.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.533 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.1 m -112.44 -20.28 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.43 138.91 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.382 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.755 HG21 HG11 ' A' ' 8' ' ' VAL . 4.5 mt -82.49 112.24 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 38.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.55 162.8 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.3 118.23 17.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.752 HG12 HG12 ' A' ' 8' ' ' VAL . 3.4 mt -82.53 140.76 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.7 mp -96.91 -50.75 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.28 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -72.52 140.82 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.538 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 2.3 p90 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.527 0.203 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.92 129.03 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HE3' HG13 ' A' ' 54' ' ' VAL . 16.1 ttmt -91.41 120.73 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.877 HG11 HG21 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -116.06 167.35 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' HD11 ' A' ' 51' ' ' ILE . 28.2 tttt -135.02 133.74 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.474 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 2.2 t -70.77 128.44 90.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -35.06 3.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.042 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 3.9 t0 -84.73 -43.77 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.62 -28.35 56.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' CYS . 6.3 mt-10 66.67 8.15 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -97.36 151.88 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.627 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.35 138.43 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.04 160.34 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.619 HG13 HG21 ' A' ' 54' ' ' VAL . 96.5 t -122.44 114.63 43.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.586 HG21 HG11 ' A' ' 27' ' ' VAL . 1.5 pp . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' CG2' ' A' ' 36' ' ' VAL . 59.5 t -106.37 113.2 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -106.65 134.92 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.3 t -51.9 122.29 8.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 108.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.98 -11.18 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.429 ' N ' HD13 ' A' ' 31' ' ' ILE . 6.0 mm -78.35 -80.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -91.9 -52.42 4.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.242 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.87 32.66 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.07 147.32 23.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.274 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -64.62 124.29 21.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.683 ' CG2' HG12 ' A' ' 27' ' ' VAL . 4.9 m -114.4 -13.0 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.38 137.87 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.877 HG21 HG11 ' A' ' 8' ' ' VAL . 3.7 mp -84.1 116.53 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 35.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.537 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.78 164.91 30.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.09 122.41 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -82.2 139.18 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.453 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.4 mp -95.0 -60.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.1 -168.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -77.88 135.37 37.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.619 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 4.3 p90 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.468 0.175 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.97 131.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -96.36 120.97 37.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.814 HG11 HG21 ' A' ' 46' ' ' ILE . 8.6 m -120.53 167.34 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.3 tttt -134.92 137.18 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.642 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.6 t -71.04 130.63 87.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.95 3.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -43.63 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.01 -29.46 60.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.1 mt-10 66.62 8.12 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -97.49 151.61 19.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -87.52 138.34 31.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -145.56 146.66 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.04 119.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.596 HG21 HG11 ' A' ' 27' ' ' VAL . 1.8 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.596 HG11 HG21 ' A' ' 19' ' ' ILE . 15.5 t -98.71 113.44 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -109.54 138.78 45.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.2 122.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 108.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 pt -66.91 -10.31 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.8 mm -77.1 -79.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.1 t -96.14 -50.14 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 108.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.65 32.57 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.6 146.35 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -62.62 124.99 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.642 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.6 m -113.04 -29.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.25 138.83 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.347 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.814 HG21 HG11 ' A' ' 8' ' ' VAL . 3.9 mp -85.65 119.01 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.38 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.37 164.4 31.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.78 112.04 9.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.724 HG12 HG12 ' A' ' 8' ' ' VAL . 2.6 mt -81.68 135.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.9 -57.05 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 171.32 -168.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -75.41 143.09 42.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.0 p90 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.439 0.161 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.11 128.72 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.8 ttmt -91.99 120.63 32.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.811 HG12 HG12 ' A' ' 50' ' ' ILE . 6.6 m -118.65 167.36 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -133.95 137.81 45.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.5 t -71.43 131.15 86.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -75.01 -35.58 3.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.416 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . 20.9 m-20 -86.25 -43.21 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.24 -29.51 60.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.4 mt-10 66.45 8.39 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -97.25 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.618 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -88.52 138.48 31.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.03 158.28 43.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG13 HG21 ' A' ' 54' ' ' VAL . 60.9 t -117.14 115.89 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.663 HG21 HG11 ' A' ' 27' ' ' VAL . 1.2 pt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.663 HG11 HG21 ' A' ' 19' ' ' ILE . 57.0 t -107.84 113.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.51 140.15 37.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.9 t -54.63 122.03 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 31' ' ' ILE . 4.0 pt -65.5 -11.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.491 HD13 HG13 ' A' ' 30' ' ' ILE . 9.0 mm -76.19 -77.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.0 t -98.41 -49.42 4.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.02 32.15 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.59 145.73 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -61.41 124.91 21.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.8 m -113.47 -32.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.1 139.31 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.692 HD12 HD11 ' A' ' 50' ' ' ILE . 3.3 mt -82.31 115.11 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.81 38.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.66 163.1 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.9 121.35 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.811 HG12 HG12 ' A' ' 8' ' ' VAL . 3.0 mt -86.2 145.93 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 9' ' ' LYS . 2.0 mp -101.65 -68.54 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.26 -167.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -79.29 139.15 37.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.546 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.8 p90 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.535 0.207 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.43 125.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' CB ' HG22 ' A' ' 54' ' ' VAL . 15.7 ttmt -93.02 121.15 34.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.817 HG11 HG21 ' A' ' 46' ' ' ILE . 10.2 m -121.57 167.06 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 39.7 tttt -133.71 136.95 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.619 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.22 129.8 88.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.95 2.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.3 -42.05 16.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.18 -30.25 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 21.6 mt-10 67.91 7.73 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -97.38 150.77 20.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.578 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -88.43 138.47 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -141.42 160.39 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 54' ' ' VAL . 83.2 t -121.1 115.47 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.347 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 27' ' ' VAL . 2.0 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG22 ' HE2' ' A' ' 28' ' ' LYS . 60.9 mt . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.819 HG11 HG21 ' A' ' 19' ' ' ILE . 44.3 t -97.99 113.64 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HE2' HG22 ' A' ' 26' ' ' ILE . 3.9 mtmt -105.15 142.12 35.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.8 t -57.18 122.77 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -65.98 -10.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.3 mm -78.03 -80.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.35 -51.4 5.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 108.384 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.11 32.95 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.462 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.8 146.11 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -64.51 124.98 23.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.427 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.619 HG12 ' SG ' ' A' ' 10' ' ' CYS . 11.5 m -113.48 -31.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.92 139.37 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.817 HG21 HG11 ' A' ' 8' ' ' VAL . 4.0 mp -85.29 119.64 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 40.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.473 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.76 165.75 27.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -75.13 109.4 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.716 HG12 HG12 ' A' ' 8' ' ' VAL . 3.3 mt -76.15 142.73 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.67 -57.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -171.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -72.26 139.19 47.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.5 0.191 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.431 HG21 HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -145.05 126.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.499 ' CB ' HG22 ' A' ' 54' ' ' VAL . 16.6 ttmt -93.31 120.65 33.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 46' ' ' ILE . 1.1 m -115.61 166.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HB3' HD11 ' A' ' 51' ' ' ILE . 19.7 tttt -135.41 135.13 40.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.586 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.4 t -71.68 127.18 91.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.26 -43.57 17.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.18 -41.98 56.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.314 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 82.56 5.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.224 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -96.92 150.72 20.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -88.01 136.76 32.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.41 157.68 45.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG13 HG21 ' A' ' 54' ' ' VAL . 48.9 t -119.06 121.79 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.859 HG21 HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.859 HG11 HG21 ' A' ' 19' ' ' ILE . 40.1 t -95.49 113.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -107.8 135.54 49.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.4 t -54.45 122.79 11.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.25 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pt -66.18 -10.7 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.7 mm -77.94 -79.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -93.74 -51.74 4.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.16 32.69 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.88 146.06 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -63.63 123.9 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.608 ' CG2' HG12 ' A' ' 27' ' ' VAL . 4.6 m -114.58 -13.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 27' ' ' VAL . . . -163.88 139.38 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.885 HD13 HD11 ' A' ' 50' ' ' ILE . 3.7 mp -84.89 122.31 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 35.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.562 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.67 166.4 25.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.73 117.94 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.885 HD11 HD13 ' A' ' 46' ' ' ILE . 3.0 mt -80.07 130.04 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.3 mp -84.49 -59.56 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.83 -171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -71.05 138.62 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 2.3 p90 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.459 0.171 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.45 125.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.472 ' HB2' HG22 ' A' ' 18' ' ' VAL . 3.9 ttmt -92.57 125.09 37.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.045 HG11 HG21 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -120.29 167.14 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -134.99 131.51 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' HG12 ' A' ' 36' ' ' VAL . 2.0 t -70.46 128.84 90.83 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.358 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -34.96 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.492 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -84.74 -40.53 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -79.63 -29.28 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.365 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' CYS . 9.6 mt-10 66.77 8.86 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -97.27 151.51 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.132 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.78 138.32 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' NE2' HG12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -142.12 159.69 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.855 HG13 HG21 ' A' ' 54' ' ' VAL . 60.6 t -123.49 115.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 8' ' ' VAL . 2.4 pt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -114.36 115.0 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.53 141.25 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 t -55.13 122.13 10.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.419 HG12 ' NE2' ' A' ' 17' ' ' GLN . 1.2 pt -64.29 -11.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.0 mm -77.33 -79.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.4 t -93.56 -50.76 5.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.262 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.68 31.74 0.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.97 146.61 24.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -65.43 123.86 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.503 HG12 ' SG ' ' A' ' 10' ' ' CYS . 6.9 m -114.4 -27.33 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.62 137.67 26.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.045 HG21 HG11 ' A' ' 8' ' ' VAL . 3.1 mp -82.19 123.19 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -95.75 38.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.583 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.63 168.1 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.36 110.2 7.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.542 HG12 HG12 ' A' ' 8' ' ' VAL . 2.7 mt -70.81 136.34 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -89.85 -78.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.17 -174.29 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -71.29 134.0 46.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.855 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.459 0.171 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.89 130.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 54' ' ' VAL . 11.7 ttmt -93.69 121.58 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.782 HG11 HG21 ' A' ' 46' ' ' ILE . 5.3 m -118.33 167.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 27.8 tttt -134.89 135.03 41.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.653 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.04 130.18 88.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -84.03 -42.65 15.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.473 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.76 -29.2 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 66.35 8.29 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -97.66 151.08 20.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.562 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -88.2 138.37 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -144.74 155.89 43.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG13 HG21 ' A' ' 54' ' ' VAL . 40.8 t -116.17 120.16 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 27' ' ' VAL . 1.4 pt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.8 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 19' ' ' ILE . 11.6 t -99.86 113.44 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -107.92 139.91 41.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.4 t -57.11 122.35 12.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -67.17 -10.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.1 mm -77.62 -80.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 -51.27 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.73 32.71 0.5 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.08 147.72 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 m -65.7 124.71 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.653 HG12 ' SG ' ' A' ' 10' ' ' CYS . 9.6 m -113.97 -21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.21 139.81 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.782 HG21 HG11 ' A' ' 8' ' ' VAL . 4.6 mp -85.06 123.2 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.37 40.92 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.36 165.96 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.69 108.18 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.764 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -72.59 125.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.35 -77.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -167.64 -173.09 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -72.15 142.79 49.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.525 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.511 0.196 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.5 130.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HE3' HG13 ' A' ' 54' ' ' VAL . 20.6 ttmt -92.8 120.61 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.779 HG12 HG12 ' A' ' 50' ' ' ILE . 5.4 m -117.85 166.86 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB3' HD11 ' A' ' 51' ' ' ILE . 15.4 tttt -133.38 135.85 44.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.4 t -71.2 130.12 88.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -43.22 13.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.36 -31.47 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' CYS . 19.3 mt-10 68.88 7.26 6.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -97.28 151.17 20.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.603 1.19 . . . . 0.0 109.553 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -87.76 138.15 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.45 158.7 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.63 HG13 HG21 ' A' ' 54' ' ' VAL . 58.0 t -116.85 118.2 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.608 HG12 HG21 ' A' ' 8' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 36' ' ' VAL . 60.5 t -105.15 113.94 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -105.48 139.95 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.7 t -58.83 122.47 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -63.36 -10.66 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 31' ' ' ILE . 2.9 mm -74.54 -80.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -98.0 -41.78 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . 122.84 32.89 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.12 144.07 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 0.81 . . . . 0.0 110.234 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.2 m -61.8 125.6 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.5 m -113.91 -20.18 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.87 139.41 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.664 HG21 HG11 ' A' ' 8' ' ' VAL . 3.6 mt -82.97 112.13 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 38.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.68 162.1 38.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.12 119.71 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.779 HG12 HG12 ' A' ' 8' ' ' VAL . 3.5 mt -83.55 147.38 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.9 mp -105.53 -52.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 168.71 -169.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.391 1.057 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -75.79 146.54 39.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.531 0.205 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -144.67 130.62 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -91.9 120.39 32.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.704 HG12 HG12 ' A' ' 50' ' ' ILE . 13.6 m -117.81 167.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 21.1 tttt -128.07 135.11 49.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.654 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.43 129.45 88.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.541 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -84.12 -44.43 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.88 -31.57 61.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 22.1 mt-10 69.6 6.45 5.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -97.48 151.91 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.21 131.12 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -133.01 162.92 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 54' ' ' VAL . 50.6 t -118.98 113.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.629 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 19' ' ' ILE . 47.4 t -106.5 114.5 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.76 139.86 38.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.4 t -61.93 122.29 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 108.334 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.446 HG13 HD13 ' A' ' 31' ' ' ILE . 2.3 pt -66.61 -10.54 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 HD13 HG13 ' A' ' 30' ' ' ILE . 6.5 mm -74.92 -77.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 t -97.78 -48.75 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.236 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 128.95 31.98 0.61 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.15 148.63 22.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.462 0.742 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 38' ' ' GLU . 99.4 m -67.87 125.68 27.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.654 HG12 ' SG ' ' A' ' 10' ' ' CYS . 8.1 m -111.39 -20.27 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.3 136.91 15.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 35' ' ' THR . 3.5 mt-10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.822 HD12 HD11 ' A' ' 50' ' ' ILE . 3.5 mt -82.01 110.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 38.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.86 158.36 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.6 121.17 20.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.822 HD11 HD12 ' A' ' 46' ' ' ILE . 2.5 mt -85.21 145.95 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -105.85 -79.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.669 ' N ' HG22 ' A' ' 51' ' ' ILE . 4.0 pt-20 -154.29 -168.56 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.63 147.64 28.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.69 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 p90 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.525 0.202 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.66 126.81 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 54' ' ' VAL . 22.5 ttmt -91.67 120.14 32.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 46' ' ' ILE . 5.5 m -117.65 167.27 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.592 ' HB3' HD11 ' A' ' 51' ' ' ILE . 11.2 tttt -133.97 136.07 43.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.571 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -70.9 129.99 88.96 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.079 . . . . 0.0 108.346 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.79 -43.81 13.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.53 -31.95 62.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 11.8 mt-10 69.57 7.25 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -96.78 150.81 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.24 138.48 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.1 mt-30 -144.12 153.05 41.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.49 116.39 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.866 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.866 HG11 HG21 ' A' ' 19' ' ' ILE . 31.1 t -98.56 113.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.8 t -57.38 122.24 12.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.427 HG13 HD13 ' A' ' 31' ' ' ILE . 2.0 pt -65.97 -11.03 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.427 HD13 HG13 ' A' ' 30' ' ' ILE . 6.2 mm -75.8 -78.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -96.93 -49.85 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 108.276 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.85 32.01 0.57 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.25 146.95 23.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.346 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 m -63.62 124.97 22.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.571 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.7 m -112.61 -28.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.89 142.47 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.744 HD13 HD11 ' A' ' 50' ' ' ILE . 3.9 mp -85.32 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -98.84 36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.48 165.63 28.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.18 115.95 15.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.744 HD11 HD13 ' A' ' 46' ' ' ILE . 3.3 mt -79.37 133.97 28.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.592 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.8 mp -88.26 -51.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 164.46 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -71.27 137.87 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 7' ' ' LYS . 1.3 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 p90 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -143.57 126.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.2 ttmt -91.4 121.12 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.792 HG12 HG12 ' A' ' 50' ' ' ILE . 10.0 m -120.59 167.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -131.94 137.29 47.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.659 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.6 t -71.16 129.65 88.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -36.29 2.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.426 1.751 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.435 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -83.83 -43.42 15.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.84 -38.95 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 77.76 6.66 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -97.02 151.26 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.83 138.16 31.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.02 156.3 44.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.422 HG13 HG21 ' A' ' 54' ' ' VAL . 44.5 t -114.98 114.23 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.852 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.852 HG11 HG21 ' A' ' 19' ' ' ILE . 36.3 t -104.64 114.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -104.13 142.94 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.0 t -58.09 134.89 56.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.435 HG13 HD13 ' A' ' 31' ' ' ILE . 2.4 pt -77.5 -9.76 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.435 HD13 HG13 ' A' ' 30' ' ' ILE . 7.0 mm -78.62 -81.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.6 t -93.38 -52.34 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.11 34.07 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.488 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.08 150.08 22.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.5 m -68.53 125.54 26.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.659 HG12 ' SG ' ' A' ' 10' ' ' CYS . 15.3 m -113.38 -32.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.76 138.22 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 50' ' ' ILE . 3.3 mt -84.49 112.02 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -92.05 36.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.76 162.33 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -74.79 124.02 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.792 HG12 HG12 ' A' ' 8' ' ' VAL . 4.0 mt -87.15 145.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.1 mp -101.71 -50.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER 168.01 -171.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -71.21 140.46 50.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.2 p90 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.496 0.188 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.75 125.84 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' CB ' HG22 ' A' ' 54' ' ' VAL . 14.4 ttmt -93.89 120.69 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.824 HG11 HG21 ' A' ' 46' ' ' ILE . 6.2 m -118.6 167.2 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 6.6 tttt -134.93 136.72 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.641 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -70.9 130.66 88.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.274 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -35.69 3.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -40.73 16.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.51 -30.4 47.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 108.291 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 10.4 mt-10 67.64 8.17 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -97.18 150.84 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.658 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -88.45 138.29 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.73 159.34 42.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG13 HG21 ' A' ' 54' ' ' VAL . 48.7 t -118.51 119.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.827 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.827 HG11 HG21 ' A' ' 19' ' ' ILE . 17.9 t -100.91 113.64 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -107.43 138.39 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.5 t -56.23 122.38 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.21 -10.99 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.2 mm -78.75 -81.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -90.4 -52.04 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.07 30.92 0.6 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.84 147.32 23.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 0.804 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m -62.22 125.78 25.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.641 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.5 m -113.9 -13.12 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.16 138.06 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.824 HG21 HG11 ' A' ' 8' ' ' VAL . 3.3 mp -84.16 115.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 41.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.5 164.84 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.57 113.7 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 8' ' ' VAL . 2.8 mt -81.2 142.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mp -100.18 -49.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER 160.65 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -72.53 141.17 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.519 0.199 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -90.83 130.05 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.61 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p -75.24 149.18 38.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.049 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -133.03 169.88 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 57' ' ' ILE . 4.6 p90 -98.37 142.24 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.87 132.56 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.582 ' HB2' HG13 ' A' ' 54' ' ' VAL . 14.9 ttmt -94.85 127.0 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.738 HG12 HG12 ' A' ' 50' ' ' ILE . 4.0 m -127.65 166.69 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.57 136.04 42.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.643 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.1 t -71.46 128.98 89.36 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 108.289 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -35.62 3.11 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.513 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 3.8 m-20 -85.02 -43.1 14.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -75.12 -35.38 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 74.02 6.4 4.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -97.15 151.11 20.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.078 . . . . 0.0 109.62 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -88.18 137.53 32.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 8' ' ' VAL . 2.1 mm100 -142.64 160.08 40.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.682 HG13 HG21 ' A' ' 54' ' ' VAL . 84.3 t -120.38 117.91 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.839 HG21 HG11 ' A' ' 27' ' ' VAL . 1.5 pt -128.7 166.59 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -83.72 150.55 25.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -83.76 116.53 22.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 109.246 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 15.4 m80 68.14 64.63 0.63 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.523 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -75.04 -169.48 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -35.76 4.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.28 160.41 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.4 mt -65.59 139.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.839 HG11 HG21 ' A' ' 19' ' ' ILE . 21.5 t -100.56 113.68 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.65 139.05 38.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.6 t -56.81 122.71 12.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.422 HG13 HD13 ' A' ' 31' ' ' ILE . 2.3 pt -65.25 -10.85 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.422 HD13 HG13 ' A' ' 30' ' ' ILE . 6.3 mm -76.4 -78.97 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.2 t -96.74 -48.78 5.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.15 32.06 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -89.78 146.65 24.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -61.55 124.61 21.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.643 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.4 m -112.55 -25.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.84 138.54 19.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.6 OUTLIER -120.92 138.43 27.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.413 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -74.99 -17.22 19.74 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 41' ' ' GLY . 12.1 t 39.01 -159.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.4 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.422 ' N ' ' OG1' ' A' ' 40' ' ' THR . . . -83.5 89.44 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 67.15 139.5 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.35 100.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -67.75 144.53 43.77 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -125.33 136.71 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.71 HG21 HG11 ' A' ' 8' ' ' VAL . 4.1 mp -85.02 115.58 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -92.0 39.44 1.02 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 109.22 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -144.88 162.81 35.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.3 114.73 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.234 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.738 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -80.99 136.36 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.12 -63.01 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.25 -170.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -75.37 148.04 39.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.682 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -99.25 158.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.18 -11.64 49.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.25 88.9 2.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.491 1.119 . . . . 0.0 110.227 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.552 HG12 ' CE2' ' A' ' 5' ' ' PHE . 13.2 mt -78.82 170.92 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' H ' HG22 ' A' ' 57' ' ' ILE . 1.2 tt0 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.167 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.466 0.174 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -81.91 138.86 34.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 t 61.82 132.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.26 170.24 8.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HA ' ' A' ' 57' ' ' ILE . 2.8 p90 -103.11 145.88 29.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.91 126.43 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' N ' HG22 ' A' ' 54' ' ' VAL . 16.7 ttmt -91.43 122.78 34.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG11 HG21 ' A' ' 46' ' ' ILE . 8.7 m -123.99 167.31 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.1 tttt -134.08 133.85 41.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 t -70.81 129.55 89.61 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.474 1.109 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.55 2.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.19 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -29.13 45.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 108.234 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 66.42 7.94 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -98.28 150.93 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -88.22 137.65 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.2 mm100 -142.76 159.06 42.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.66 HG13 HG21 ' A' ' 54' ' ' VAL . 58.5 t -119.98 115.07 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.566 HG12 HG21 ' A' ' 8' ' ' VAL . 2.0 pt -124.52 166.59 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -83.15 151.46 25.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.3 p-10 -86.31 122.28 30.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER 65.4 64.86 0.96 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.596 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -74.98 -171.86 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.772 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.1 p -116.5 -35.06 4.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.19 162.16 13.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.3 mt -64.47 139.38 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' CG2' ' A' ' 36' ' ' VAL . 59.8 t -101.24 113.59 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -107.16 138.65 42.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.2 t -54.51 122.8 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.64 -11.26 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 31' ' ' ILE . 6.1 mm -77.81 -79.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.78 -51.31 4.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 108.304 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.39 32.24 0.49 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.79 144.42 25.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -60.73 124.86 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.676 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.2 m -114.12 -14.69 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.11 144.85 9.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.45 138.16 29.68 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.67 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 110.945 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.3 p 42.59 -163.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -120.77 55.08 0.65 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.946 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -170.66 -55.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.08 107.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.14 130.21 1.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -125.0 142.92 51.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.79 HG21 HG11 ' A' ' 8' ' ' VAL . 3.2 mp -84.69 120.22 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.03 41.13 1.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.26 164.91 29.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -73.9 111.33 8.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.766 HG12 HG12 ' A' ' 8' ' ' VAL . 2.5 mt -80.04 141.03 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.21 -55.21 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.71 -166.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -77.03 142.97 39.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.66 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -86.85 174.84 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.0 -15.0 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -75.25 91.67 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 58' ' ' GLU . 19.4 mt -74.69 170.5 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ttm . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.518 0.199 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -87.72 140.02 29.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.588 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 m -38.76 118.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -88.63 169.83 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' HE2' HG23 ' A' ' 57' ' ' ILE . 6.2 p90 -96.91 140.15 31.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.43 130.38 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HE3' HG13 ' A' ' 54' ' ' VAL . 19.3 ttmt -91.92 121.53 33.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.784 HG12 HG12 ' A' ' 50' ' ' ILE . 6.3 m -120.66 167.15 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 16.4 tttt -132.89 134.8 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 3.0 t -71.62 129.38 88.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 108.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.14 2.76 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -83.51 -44.24 14.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.27 -31.91 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 108.283 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' CYS . 19.0 mt-10 69.99 6.7 5.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.418 1.074 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -97.38 151.17 20.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.567 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.44 138.11 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.9 mm100 -143.15 159.96 41.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 110.255 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.699 HG13 HG21 ' A' ' 54' ' ' VAL . 91.5 t -118.86 115.04 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.585 HG12 HG21 ' A' ' 8' ' ' VAL . 1.4 pt -132.23 166.39 29.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -79.03 149.96 32.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' HB3' HG11 ' A' ' 6' ' ' VAL . 1.9 p-10 -87.65 116.78 26.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.407 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 6.2 m-70 68.44 64.19 0.61 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.609 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.1 Cg_endo -74.98 -167.46 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.451 1.764 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.45 -35.03 4.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.57 161.54 14.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.9 mt -64.94 139.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 36' ' ' VAL . 17.0 t -102.29 114.22 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -105.21 135.33 46.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.463 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.5 t -53.18 135.38 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 108.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -77.55 -9.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.0 mm -80.36 -82.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.2 t -90.42 -53.58 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.33 33.89 0.38 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.99 149.84 22.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.215 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -63.84 124.4 21.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' HG12 ' A' ' 27' ' ' VAL . 2.9 m -114.29 -14.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 27' ' ' VAL . . . -164.2 137.36 5.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 3.0 mt-10 -123.5 138.03 29.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -74.96 75.2 3.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.9 p -45.99 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -45.88 99.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.95 -85.13 0.81 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.34 179.61 6.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -114.52 151.01 18.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -124.82 141.25 52.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 0.722 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 50' ' ' ILE . 3.8 mt -82.46 114.05 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.29 37.15 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.74 162.19 38.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -73.66 118.67 16.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.784 HG12 HG12 ' A' ' 8' ' ' VAL . 3.6 mt -82.89 140.55 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -100.3 -58.87 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 -172.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -75.88 148.34 38.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.699 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -95.89 167.02 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -94.7 -13.39 25.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -75.45 89.9 2.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 58' ' ' GLU . 10.3 mt -79.14 169.89 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtt . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.495 0.188 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -82.77 136.11 34.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.642 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -39.57 121.48 1.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -83.77 169.69 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 -111.22 142.53 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 19' ' ' ILE . 1.1 p -143.3 128.72 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' N ' HG22 ' A' ' 54' ' ' VAL . 14.1 ttmt -93.6 127.87 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.803 HG12 HG12 ' A' ' 50' ' ' ILE . 8.3 m -128.44 167.12 24.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 25.4 tttt -134.89 133.61 39.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.576 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.7 t -71.11 129.81 88.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 108.239 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -36.35 2.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.461 1.769 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 5.6 t70 -83.77 -42.05 16.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.25 -29.88 54.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' CYS . 22.9 mt-10 67.05 7.81 5.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -98.1 150.9 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 109.651 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -88.76 138.21 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' VAL . 1.7 mm100 -145.16 157.43 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.76 HG13 HG21 ' A' ' 54' ' ' VAL . 86.4 t -115.75 118.73 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.765 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -129.9 167.21 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -74.28 151.89 39.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.56 -14.01 58.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -156.33 70.87 5.01 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.3 p -116.59 -35.43 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.45 162.75 13.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.14 139.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.765 HG11 HG21 ' A' ' 19' ' ' ILE . 39.8 t -98.1 113.55 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -107.76 140.39 40.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.1 t -55.59 122.49 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 108.268 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pt -64.97 -11.15 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.51 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.1 mm -77.73 -80.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.1 t -93.04 -51.27 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.07 32.31 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NE ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.77 145.7 25.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.6 m -63.2 125.32 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG12 ' SG ' ' A' ' 10' ' ' CYS . 5.2 m -113.81 -19.81 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -164.53 139.51 5.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.54 138.25 29.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -75.01 56.25 4.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 45' ' ' ASN . 9.1 t -77.32 151.98 34.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.62 -161.62 4.52 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.53 -57.5 18.65 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.13 141.39 34.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -62.52 144.51 49.33 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.431 1.082 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.505 ' HB2' HG22 ' A' ' 40' ' ' THR . 1.0 OUTLIER -115.68 128.7 56.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 0.711 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.762 HG21 HG11 ' A' ' 8' ' ' VAL . 3.1 mp -85.26 122.22 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.083 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.52 40.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.502 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.28 165.19 29.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.78 109.85 7.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.803 HG12 HG12 ' A' ' 8' ' ' VAL . 2.7 mt -78.16 145.37 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.8 mp -102.49 -69.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' N ' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -169.89 -170.76 1.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -76.12 145.22 40.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.76 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -104.84 178.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.69 -14.01 15.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 94.8 3.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.576 HG12 ' CE2' ' A' ' 5' ' ' PHE . 6.6 mt -81.02 168.68 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' H ' HG22 ' A' ' 57' ' ' ILE . 1.7 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.338 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.538 0.208 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.79 138.58 44.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.546 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m -66.98 149.27 50.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.78 170.56 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 57' ' ' ILE . 4.4 p90 -98.14 143.2 28.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 111.069 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.59 127.4 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.0 ttmt -94.2 122.74 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.821 HG11 HG21 ' A' ' 46' ' ' ILE . 9.8 m -124.35 167.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.4 tttt -134.27 136.55 43.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' HG12 ' A' ' 36' ' ' VAL . 3.0 t -71.43 130.77 87.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.3 Cg_endo -75.05 -35.76 2.91 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.77 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -84.44 -42.64 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.29 -31.41 58.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 108.272 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 28.2 mt-10 68.83 7.94 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -97.18 150.9 20.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -89.4 138.46 31.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.3 mt-30 -142.86 159.04 43.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.636 HG13 HG21 ' A' ' 54' ' ' VAL . 89.6 t -119.7 114.49 44.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 8' ' ' VAL . 1.9 pt -126.7 165.97 24.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -86.17 151.76 23.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -82.85 -0.98 50.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 1.7 t60 -142.06 63.99 16.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.2 Cg_endo -75.03 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 1.1 t 89.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.47 162.38 13.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.23 139.29 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.6 t -113.84 114.02 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -100.93 141.33 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.445 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.3 t -55.08 122.59 11.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 108.235 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.502 HG13 HD13 ' A' ' 31' ' ' ILE . 3.9 pt -65.96 -10.97 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.502 HD13 HG13 ' A' ' 30' ' ' ILE . 9.1 mm -77.76 -77.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.4 t -95.96 -51.59 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.223 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.17 30.84 0.55 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NH2' ' OD1' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.64 147.17 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 0.796 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 m -62.47 124.75 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.522 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.3 m -114.35 -34.38 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -146.25 137.8 24.74 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.409 1.068 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.75 137.92 32.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.05 2.4 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 40' ' ' THR . 7.3 t -105.25 109.55 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.398 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.64 -118.12 3.38 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.462 1.102 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.32 125.42 8.19 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.2 tttm 72.48 110.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.76 158.47 9.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.06 130.98 53.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.821 HG21 HG11 ' A' ' 8' ' ' VAL . 3.8 mp -85.13 119.03 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -94.15 39.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.378 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.48 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -144.95 165.49 28.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.9 111.82 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.721 HG12 HG12 ' A' ' 8' ' ' VAL . 2.1 mt -82.15 132.03 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 9' ' ' LYS . 2.0 mp -86.97 -59.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.57 -168.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -75.52 145.41 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.636 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -88.5 173.75 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.236 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -102.33 -16.88 16.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -75.45 88.81 2.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.544 ' HA ' ' CD2' ' A' ' 5' ' ' PHE . 18.2 mt -68.95 170.84 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.539 ' N ' HG22 ' A' ' 57' ' ' ILE . 1.7 tp10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.46 0.171 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -94.01 139.59 30.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.638 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -43.92 158.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.99 169.74 8.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 57' ' ' ILE . 4.6 p90 -102.5 139.29 38.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.01 130.03 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' N ' HG22 ' A' ' 54' ' ' VAL . 21.1 ttmt -94.44 120.54 34.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.805 HG11 HG21 ' A' ' 46' ' ' ILE . 5.3 m -121.79 166.55 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 47.7 tttt -135.72 135.17 39.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.646 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -71.08 129.76 88.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.269 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.554 1.818 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.523 ' CB ' ' CZ ' ' A' ' 34' ' ' ARG . 78.9 m-20 -83.55 -40.94 18.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.5 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.65 -31.01 46.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 108.259 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 10' ' ' CYS . 27.3 mt-10 68.87 8.05 6.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -97.16 150.92 20.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.63 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.22 138.49 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.447 ' CG ' HG12 ' A' ' 30' ' ' ILE . 1.3 mm100 -143.26 160.59 40.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.236 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.683 HG13 HG21 ' A' ' 54' ' ' VAL . 57.7 t -121.63 114.12 41.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.58 HG12 HG21 ' A' ' 8' ' ' VAL . 2.0 pt -124.93 166.4 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -94.3 151.18 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -81.71 124.89 29.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 42' ' ' GLY . 17.4 t-160 68.17 64.17 0.64 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.57 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.554 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.4 Cg_endo -75.03 -29.22 8.41 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER 89.25 -34.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.011 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.37 160.75 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.458 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.2 mt -65.21 139.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.4 t -110.12 114.74 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -103.06 137.24 41.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.6 t -50.67 138.47 18.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.447 HG12 ' CG ' ' A' ' 17' ' ' GLN . 2.1 pt -77.49 -9.97 12.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.4 mm -82.82 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -85.59 -55.17 4.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.08 32.8 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.523 ' CZ ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -90.35 150.24 21.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 0.746 . . . . 0.0 110.198 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -63.33 124.74 22.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.385 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.646 HG12 ' SG ' ' A' ' 10' ' ' CYS . 1.8 m -112.29 -22.57 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.55 137.27 16.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -123.39 138.11 29.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.1 Cg_endo -75.01 131.45 14.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.531 1.806 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.02 97.35 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.173 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.6 -85.75 0.09 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.511 1.132 . . . . 0.0 111.077 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.598 ' O ' ' CE1' ' A' ' 22' ' ' HIS . . . -150.84 42.28 0.75 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' GLY . 1.4 ptpp? -161.42 68.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.421 ' H ' ' CD2' ' A' ' 22' ' ' HIS . . . -37.48 137.99 0.61 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.83 134.4 54.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.805 HG21 HG11 ' A' ' 8' ' ' VAL . 4.9 mp -81.92 119.71 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -95.08 42.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.06 165.98 26.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -73.29 109.81 7.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.234 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.763 HG12 HG12 ' A' ' 8' ' ' VAL . 3.3 mt -77.19 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.498 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -100.43 -69.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 51' ' ' ILE . 1.6 tt0 -174.36 -175.25 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -71.74 143.47 49.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.683 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -93.05 164.98 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -13.6 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -75.22 90.04 2.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.57 HG12 ' CE2' ' A' ' 5' ' ' PHE . 12.5 mt -81.04 170.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.403 0.144 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -91.81 134.17 34.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.155 . . . . 0.0 109.624 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 75.77 127.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.05 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.38 170.1 8.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.9 p90 -99.62 148.72 24.02 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.87 127.1 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.543 ' HE3' HG13 ' A' ' 54' ' ' VAL . 22.5 ttmt -92.4 121.64 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.849 HG11 HG21 ' A' ' 46' ' ' ILE . 9.8 m -122.14 167.55 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 16.3 tttt -135.5 138.5 43.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 13' ' ' CYS . 3.9 t -71.56 131.14 86.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -75.01 -35.15 3.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . 1.1 m-20 -85.07 -42.39 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.99 -30.54 55.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 108.309 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' CYS . 15.2 mt-10 67.94 8.18 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -97.1 150.78 20.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.578 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -87.96 138.79 31.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.95 154.73 44.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.568 HG13 HG21 ' A' ' 54' ' ' VAL . 87.8 t -115.23 116.9 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.633 HD11 HG12 ' A' ' 46' ' ' ILE . 1.4 pt -128.4 166.47 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -87.7 152.4 22.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.92 37.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 4.1 t-160 176.98 63.09 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.639 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.549 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.3 Cg_endo -74.93 -46.07 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER 88.99 -37.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.16 163.49 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.29 137.47 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.24 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.416 HG12 ' CG2' ' A' ' 36' ' ' VAL . 48.6 t -107.91 118.6 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -105.33 137.63 42.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.8 t -52.78 138.22 29.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.413 HG12 ' NE2' ' A' ' 17' ' ' GLN . 1.4 pt -77.55 -9.99 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.513 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.1 mm -79.79 -82.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.3 t -91.96 -52.79 4.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 133.46 34.91 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.564 1.165 . . . . 0.0 111.042 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' NE ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.86 146.92 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.285 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.03 124.14 20.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.416 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.8 m -113.79 -17.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.83 137.8 11.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 109.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -125.09 136.84 28.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.418 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -74.97 59.77 5.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.383 1.728 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.1 t -58.77 -22.57 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.459 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.81 -173.88 22.37 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.76 -73.87 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.99 41.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 0.787 . . . . 0.0 109.21 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . 59.83 113.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.16 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.36 139.31 30.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.849 HG21 HG11 ' A' ' 8' ' ' VAL . 3.4 mp -84.65 115.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.22 41.67 1.07 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.32 165.5 28.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.435 1.084 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -73.81 113.1 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 8' ' ' VAL . 2.3 mt -82.58 139.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.35 -58.69 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.232 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 175.43 -168.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -75.43 143.99 42.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -89.12 174.11 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.09 -11.85 18.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.241 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -74.42 90.68 2.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.242 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 58' ' ' GLU . 7.5 mt -77.37 171.72 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.563 ' H ' HG22 ' A' ' 57' ' ' ILE . 2.6 tp10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.543 0.211 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -76.63 140.24 40.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.662 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m 64.45 157.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.94 170.34 9.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.209 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 57' ' ' ILE . 4.5 p90 -112.49 143.9 42.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.874 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -144.56 125.75 8.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' N ' HG22 ' A' ' 54' ' ' VAL . 13.7 ttmt -92.28 122.48 34.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.755 HG11 HG21 ' A' ' 46' ' ' ILE . 8.9 m -121.11 167.15 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.575 ' HB3' HD11 ' A' ' 51' ' ' ILE . 21.1 tttt -132.61 137.18 46.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 1.8 t -71.36 129.29 89.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 108.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.32 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.574 1.828 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.22 -42.98 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.25 -39.6 59.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 78.58 6.45 2.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -97.26 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.545 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -87.67 138.07 31.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.5 mt-30 -141.92 155.84 45.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 HG21 ' A' ' 54' ' ' VAL . 56.5 t -114.2 114.81 47.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.559 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -135.45 166.03 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -76.55 150.6 36.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.874 ' HB3' HG11 ' A' ' 6' ' ' VAL . 10.0 p-10 -84.96 0.78 50.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -157.33 63.66 3.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.587 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.4 Cg_endo -74.99 171.86 17.5 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.9 p -113.24 -31.51 6.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.9 162.32 13.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.341 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.7 mt -63.95 139.36 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.559 HG11 HG21 ' A' ' 19' ' ' ILE . 24.3 t -103.86 113.36 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -107.28 138.05 44.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.579 1.174 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.06 122.1 10.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 108.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -66.8 -10.54 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.566 ' N ' HD13 ' A' ' 31' ' ' ILE . 3.7 mm -77.36 -78.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.8 t -95.91 -51.01 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.06 32.28 0.5 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.429 1.081 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.12 146.21 24.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.1 m -62.32 124.91 22.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.533 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.1 m -112.44 -20.28 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.43 138.91 10.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.382 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -124.58 136.09 27.41 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.5 Cg_endo -74.94 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 45' ' ' ASN . 10.8 p -87.63 160.3 18.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.421 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' THR . . . -37.81 -55.05 1.83 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.31 -93.89 0.1 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.5 145.82 47.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -48.54 146.86 5.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.412 ' HB2' HG21 ' A' ' 40' ' ' THR . 0.9 OUTLIER -121.74 131.44 54.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.776 . . . . 0.0 109.238 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.755 HG21 HG11 ' A' ' 8' ' ' VAL . 4.5 mt -82.49 112.24 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.96 38.91 1.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.55 162.8 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -74.3 118.23 17.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.752 HG12 HG12 ' A' ' 8' ' ' VAL . 3.4 mt -82.53 140.76 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.7 mp -96.91 -50.75 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER 165.28 -170.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -72.52 140.82 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.538 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -78.85 168.51 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 57' ' ' ILE . 2.6 t70 -98.15 -88.21 0.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' ASP . 0.7 OUTLIER -36.04 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.552 HG12 ' CE2' ' A' ' 5' ' ' PHE . 13.1 mt -74.26 170.75 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.518 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtt . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.8 136.23 33.11 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.104 . . . . 0.0 109.583 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -109.59 142.5 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.078 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.75 170.29 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.668 ' HE2' HG23 ' A' ' 57' ' ' ILE . 2.3 p90 -109.76 146.32 35.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -143.92 129.03 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HE3' HG13 ' A' ' 54' ' ' VAL . 16.1 ttmt -91.41 120.73 32.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.877 HG11 HG21 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -116.06 167.35 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' HD11 ' A' ' 51' ' ' ILE . 28.2 tttt -135.02 133.74 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.474 ' SG ' ' CD ' ' A' ' 34' ' ' ARG . 2.2 t -70.77 128.44 90.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -35.06 3.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.042 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HB3' ' NE ' ' A' ' 34' ' ' ARG . 3.9 t0 -84.73 -43.77 13.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.62 -28.35 56.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 10' ' ' CYS . 6.3 mt-10 66.67 8.15 5.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -97.36 151.88 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.627 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.35 138.43 31.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.04 160.34 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.619 HG13 HG21 ' A' ' 54' ' ' VAL . 96.5 t -122.44 114.63 43.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 20' ' ' PHE . 1.5 pp -137.26 167.1 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.674 ' O ' HD12 ' A' ' 19' ' ' ILE . 79.9 m-85 -74.76 151.71 39.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.838 ' HA ' HD11 ' A' ' 46' ' ' ILE . 9.5 t70 -85.82 8.01 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -162.28 63.55 1.5 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.579 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -75.02 168.79 24.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.547 1.814 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.26 -31.07 6.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.042 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.18 162.46 13.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -64.25 139.48 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' CG2' ' A' ' 36' ' ' VAL . 59.5 t -106.37 113.2 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -106.65 134.92 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.3 t -51.9 122.29 8.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 108.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 pt -64.98 -11.18 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' N ' HD13 ' A' ' 31' ' ' ILE . 6.0 mm -78.35 -80.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.0 t -91.9 -52.42 4.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 108.242 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.87 32.66 0.5 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.07 147.32 23.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.274 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 m -64.62 124.29 21.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.683 ' CG2' HG12 ' A' ' 27' ' ' VAL . 4.9 m -114.4 -13.0 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.38 137.87 6.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.94 138.09 29.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.4 Cg_endo -74.9 77.5 3.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.9 p -58.1 164.84 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.94 -86.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.562 1.164 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.72 -87.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.77 141.65 46.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -41.3 144.9 0.63 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.11 142.81 51.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.877 HG21 HG11 ' A' ' 8' ' ' VAL . 3.7 mp -84.1 116.53 28.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.94 35.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.537 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.78 164.91 30.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -74.09 122.41 22.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -82.2 139.18 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.453 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.4 mp -95.0 -60.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 177.1 -168.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -77.88 135.37 37.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.619 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -80.93 173.54 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.239 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.56 -11.69 16.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -75.34 90.56 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.668 HG23 ' HE2' ' A' ' 5' ' ' PHE . 3.2 mt -86.57 166.95 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' H ' HG22 ' A' ' 57' ' ' ILE . 23.9 tt0 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.461 0.172 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.24 139.73 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -45.34 120.65 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.12 170.53 7.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' A' ' 57' ' ' ILE . 4.3 p90 -93.87 143.19 26.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.511 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.97 131.16 14.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -96.36 120.97 37.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.814 HG11 HG21 ' A' ' 46' ' ' ILE . 8.6 m -120.53 167.34 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.3 tttt -134.92 137.18 42.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.642 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.6 t -71.04 130.63 87.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.95 3.42 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.67 -43.63 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.01 -29.46 60.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 108.325 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.1 mt-10 66.62 8.12 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -97.49 151.61 19.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.57 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -87.52 138.34 31.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -145.56 146.66 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -109.04 119.97 59.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.596 HG21 HG11 ' A' ' 27' ' ' VAL . 1.8 pt -131.04 166.82 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -77.26 151.58 35.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' HB3' HG11 ' A' ' 6' ' ' VAL . 10.0 p-10 -87.08 5.82 35.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.601 1.188 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 2.4 t60 -159.03 62.41 2.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.582 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.1 Cg_endo -75.04 169.54 22.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.3 -32.3 6.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.74 162.61 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.0 mt -64.15 139.36 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.596 HG11 HG21 ' A' ' 19' ' ' ILE . 15.5 t -98.71 113.44 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -109.54 138.78 45.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.1 t -56.2 122.28 11.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 108.296 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.4 pt -66.91 -10.31 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.447 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.8 mm -77.1 -79.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.234 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 40.1 t -96.14 -50.14 4.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 108.269 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.65 32.57 0.51 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -89.6 146.35 24.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -62.62 124.99 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.642 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.6 m -113.04 -29.19 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.25 138.83 10.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 2.2 mt-10 -124.92 138.46 31.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -74.93 -14.7 21.25 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 t 39.55 50.25 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.34 88.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.26 -128.96 8.09 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.42 141.29 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 0.71 . . . . 0.0 109.223 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -96.99 132.59 11.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -123.93 128.08 48.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 0.721 . . . . 0.0 109.31 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.814 HG21 HG11 ' A' ' 8' ' ' VAL . 3.9 mp -85.65 119.01 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.38 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.37 164.4 31.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -73.78 112.04 9.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.724 HG12 HG12 ' A' ' 8' ' ' VAL . 2.6 mt -81.68 135.74 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -88.9 -57.05 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 171.32 -168.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -75.41 143.09 42.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -89.72 170.75 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.24 -11.99 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -75.08 92.71 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.698 HD12 ' CE2' ' A' ' 5' ' ' PHE . 4.3 mm -73.5 166.36 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.545 0.212 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -77.83 140.05 39.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 0.0 109.665 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -39.45 138.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 170.02 9.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.0 p90 -94.07 142.44 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.11 128.72 14.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.8 ttmt -91.99 120.63 32.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.811 HG12 HG12 ' A' ' 50' ' ' ILE . 6.6 m -118.65 167.36 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.557 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -133.95 137.81 45.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.5 t -71.43 131.15 86.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 10' ' ' CYS . 18.4 Cg_endo -75.01 -35.58 3.04 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.416 ' HB2' ' NE ' ' A' ' 34' ' ' ARG . 20.9 m-20 -86.25 -43.21 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.24 -29.51 60.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.4 mt-10 66.45 8.39 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -97.25 151.14 20.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.618 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -88.52 138.48 31.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.03 158.28 43.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG13 HG21 ' A' ' 54' ' ' VAL . 60.9 t -117.14 115.89 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.663 HG21 HG11 ' A' ' 27' ' ' VAL . 1.2 pt -135.2 166.43 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -75.22 151.54 38.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.598 ' HB3' HG11 ' A' ' 6' ' ' VAL . 2.8 p-10 -87.52 10.46 17.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 54.8 t60 -167.63 63.15 0.64 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.643 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.5 Cg_endo -74.97 172.3 16.63 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.462 1.77 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.7 t -114.02 -32.47 6.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.62 162.25 13.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt -64.54 139.34 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.663 HG11 HG21 ' A' ' 19' ' ' ILE . 57.0 t -107.84 113.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.51 140.15 37.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.9 t -54.63 122.03 9.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.491 HG13 HD13 ' A' ' 31' ' ' ILE . 4.0 pt -65.5 -11.06 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.491 HD13 HG13 ' A' ' 30' ' ' ILE . 9.0 mm -76.19 -77.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.0 t -98.41 -49.42 4.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.02 32.15 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.59 145.73 25.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -61.41 124.91 21.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.552 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.8 m -113.47 -32.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.1 139.31 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -118.73 138.26 25.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.12 21.04 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.0 p 39.13 46.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.087 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 54.13 74.76 0.28 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.18 -118.31 5.53 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.4 108.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.97 147.9 26.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -123.24 138.82 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.692 HD12 HD11 ' A' ' 50' ' ' ILE . 3.3 mt -82.31 115.11 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.81 38.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.66 163.1 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.9 121.35 20.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.811 HG12 HG12 ' A' ' 8' ' ' VAL . 3.0 mt -86.2 145.93 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 9' ' ' LYS . 2.0 mp -101.65 -68.54 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.26 -167.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -79.29 139.15 37.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.546 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -79.66 174.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -105.15 -15.94 14.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -75.5 90.8 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 58' ' ' GLU . 18.1 mt -74.11 170.53 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 57' ' ' ILE . 16.7 tp10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.487 0.184 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -84.3 140.18 31.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.24 159.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.923 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.81 170.17 15.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 110.361 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.8 p90 -103.21 148.5 25.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.43 125.74 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' CB ' HG22 ' A' ' 54' ' ' VAL . 15.7 ttmt -93.02 121.15 34.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.817 HG11 HG21 ' A' ' 46' ' ' ILE . 10.2 m -121.57 167.06 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 39.7 tttt -133.71 136.95 44.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.619 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.22 129.8 88.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.593 1.183 . . . . 0.0 108.315 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.95 2.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.3 -42.05 16.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.487 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.18 -30.25 54.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 21.6 mt-10 67.91 7.73 5.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -97.38 150.77 20.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.578 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -88.43 138.47 31.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -141.42 160.39 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.345 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 54' ' ' VAL . 83.2 t -121.1 115.47 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.347 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.819 HG21 HG11 ' A' ' 27' ' ' VAL . 2.0 pt -128.23 166.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -84.19 151.58 24.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -84.8 6.84 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.86 67.35 0.48 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.3 Cg_endo -75.04 -90.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER 155.92 -37.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.952 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.65 163.02 13.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.437 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG22 ' HE2' ' A' ' 28' ' ' LYS . 60.9 mt -63.83 135.59 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.819 HG11 HG21 ' A' ' 19' ' ' ILE . 44.3 t -97.99 113.64 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HE2' HG22 ' A' ' 26' ' ' ILE . 3.9 mtmt -105.15 142.12 35.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.8 t -57.18 122.77 13.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 108.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.2 pt -65.98 -10.75 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.442 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.3 mm -78.03 -80.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.35 -51.4 5.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.548 1.155 . . . . 0.0 108.384 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.11 32.95 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.8 146.11 24.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 m -64.51 124.98 23.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.427 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.619 HG12 ' SG ' ' A' ' 10' ' ' CYS . 11.5 m -113.48 -31.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.92 139.37 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.212 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 5.3 mt-10 -124.23 138.12 30.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.06 -19.12 18.01 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.437 1.756 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.8 t 39.56 47.62 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.14 -139.77 20.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.74 69.28 0.98 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.76 -164.39 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 0.746 . . . . 0.0 109.216 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -173.76 110.55 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.29 133.64 53.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.817 HG21 HG11 ' A' ' 8' ' ' VAL . 4.0 mp -85.29 119.64 34.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 40.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.473 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.76 165.75 27.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -75.13 109.4 8.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.716 HG12 HG12 ' A' ' 8' ' ' VAL . 3.3 mt -76.15 142.73 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.67 -57.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -171.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -72.26 139.19 47.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -82.01 175.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.12 -17.62 13.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -75.61 79.33 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' H ' ' A' ' 58' ' ' GLU . 2.0 mt -57.46 170.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' H ' HG22 ' A' ' 57' ' ' ILE . 1.7 tp10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.586 0.231 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -79.47 140.04 37.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.407 1.067 . . . . 0.0 109.632 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 m 63.76 84.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.23 170.09 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -98.8 151.56 20.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.431 HG21 HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -145.05 126.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.499 ' CB ' HG22 ' A' ' 54' ' ' VAL . 16.6 ttmt -93.31 120.65 33.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 46' ' ' ILE . 1.1 m -115.61 166.83 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HB3' HD11 ' A' ' 51' ' ' ILE . 19.7 tttt -135.41 135.13 40.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.586 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.4 t -71.68 127.18 91.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.26 -43.57 17.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.18 -41.98 56.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 108.314 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt-10 82.56 5.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.224 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -96.92 150.72 20.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 0.0 109.611 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -88.01 136.76 32.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -140.41 157.68 45.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.328 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG13 HG21 ' A' ' 54' ' ' VAL . 48.9 t -119.06 121.79 67.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.859 HG21 HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -135.15 166.83 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -79.12 151.89 31.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -84.56 8.16 17.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 18.4 p80 -164.67 63.12 1.01 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.582 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.4 Cg_endo -75.03 176.2 10.23 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.81 -34.06 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.59 162.14 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -64.93 139.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.859 HG11 HG21 ' A' ' 19' ' ' ILE . 40.1 t -95.49 113.87 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -107.8 135.54 49.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.447 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 4.4 t -54.45 122.79 11.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.25 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.9 pt -66.18 -10.7 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.369 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.7 mm -77.94 -79.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.9 t -93.74 -51.74 4.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 131.16 32.69 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.44 1.087 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.88 146.06 24.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -63.63 123.9 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.608 ' CG2' HG12 ' A' ' 27' ' ' VAL . 4.6 m -114.58 -13.0 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB3' ' HB ' ' A' ' 27' ' ' VAL . . . -163.88 139.38 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -126.7 135.13 26.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.2 Cg_endo -75.04 67.54 5.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.798 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 43' ' ' LYS . 11.7 t -39.94 158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.425 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.8 -54.23 1.88 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.74 -123.05 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' O ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER -87.41 138.79 31.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.791 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -42.36 139.56 2.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.97 134.88 54.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.885 HD13 HD11 ' A' ' 50' ' ' ILE . 3.7 mp -84.89 122.31 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 35.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.562 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.67 166.4 25.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -74.73 117.94 17.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.885 HD11 HD13 ' A' ' 46' ' ' ILE . 3.0 mt -80.07 130.04 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.3 mp -84.49 -59.56 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 170.83 -171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -71.05 138.62 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.601 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -86.11 171.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.42 -16.54 14.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -75.28 75.49 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.528 HG22 ' H ' ' A' ' 58' ' ' GLU . 1.3 mt -55.68 170.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.516 0.198 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -74.66 138.62 43.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -42.53 160.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.56 170.45 10.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.576 ' CE2' HG12 ' A' ' 57' ' ' ILE . 2.3 p90 -112.2 137.97 49.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.45 125.42 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' HB2' HG22 ' A' ' 18' ' ' VAL . 3.9 ttmt -92.57 125.09 37.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.1 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.045 HG11 HG21 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -120.29 167.14 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -134.99 131.51 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.503 ' SG ' HG12 ' A' ' 36' ' ' VAL . 2.0 t -70.46 128.84 90.83 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.358 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -34.96 3.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.492 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -84.74 -40.53 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -79.63 -29.28 40.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.365 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' CYS . 9.6 mt-10 66.77 8.86 6.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -97.27 151.51 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.132 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -90.78 138.32 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' NE2' HG12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -142.12 159.69 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.855 HG13 HG21 ' A' ' 54' ' ' VAL . 60.6 t -123.49 115.46 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.567 HG12 HG21 ' A' ' 8' ' ' VAL . 2.4 pt -125.84 167.02 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -86.64 152.73 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -87.71 34.9 0.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.457 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 8.6 t60 -176.06 61.63 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.588 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 24' ' ' SER . 18.2 Cg_endo -75.07 -49.17 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 23' ' ' PRO . 1.6 t 89.33 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.2 162.79 13.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.99 138.94 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.3 t -114.36 115.0 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.53 141.25 35.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.2 t -55.13 122.13 10.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.268 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.419 HG12 ' NE2' ' A' ' 17' ' ' GLN . 1.2 pt -64.29 -11.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.0 mm -77.33 -79.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.4 t -93.56 -50.76 5.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 108.262 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.68 31.74 0.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -89.97 146.61 24.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -65.43 123.86 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.503 HG12 ' SG ' ' A' ' 10' ' ' CYS . 6.9 m -114.4 -27.33 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.62 137.67 26.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.76 138.54 30.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.5 Cg_endo -74.99 -13.56 21.39 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.581 1.832 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.7 t 39.28 36.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.86 83.08 0.05 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.39 -125.56 6.77 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 127.76 20.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 0.786 . . . . 0.0 109.227 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -83.77 133.65 12.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.162 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.89 135.98 53.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 0.742 . . . . 0.0 109.309 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.045 HG21 HG11 ' A' ' 8' ' ' VAL . 3.1 mp -82.19 123.19 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -95.75 38.75 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.583 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.63 168.1 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.36 110.2 7.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.542 HG12 HG12 ' A' ' 8' ' ' VAL . 2.7 mt -70.81 136.34 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -89.85 -78.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.17 -174.29 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.354 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -71.29 134.0 46.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.855 HG21 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -86.59 175.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.6 -16.64 14.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 93.64 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.576 HG12 ' CE2' ' A' ' 5' ' ' PHE . 4.2 mt -82.93 167.42 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.434 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.512 0.196 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 7.3 m-70 -74.04 139.98 45.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' HIS . 0.4 OUTLIER -37.94 155.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.013 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.74 170.04 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 -101.53 141.86 33.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.476 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.89 130.15 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 54' ' ' VAL . 11.7 ttmt -93.69 121.58 35.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG11 HG21 ' A' ' 46' ' ' ILE . 5.3 m -118.33 167.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 27.8 tttt -134.89 135.03 41.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.653 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.04 130.18 88.52 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.51 2.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -84.03 -42.65 15.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -76.76 -29.2 56.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.366 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 66.35 8.29 5.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -97.66 151.08 20.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.562 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -88.2 138.37 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -144.74 155.89 43.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG13 HG21 ' A' ' 54' ' ' VAL . 40.8 t -116.17 120.16 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 27' ' ' VAL . 1.4 pt -132.39 166.81 28.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -75.32 151.31 38.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB3' HG11 ' A' ' 6' ' ' VAL . 9.6 p-10 -87.62 12.14 13.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 4.0 t-160 -171.25 63.57 0.39 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.583 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.6 Cg_endo -74.96 176.46 9.88 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.492 1.785 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 97.5 p -114.92 -33.83 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.62 162.13 13.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.8 mt -64.37 139.4 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 19' ' ' ILE . 11.6 t -99.86 113.44 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -107.92 139.91 41.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.4 t -57.11 122.35 12.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 108.346 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 pt -67.17 -10.35 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 31' ' ' ILE . 4.1 mm -77.62 -80.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -94.31 -51.27 4.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.73 32.71 0.5 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.08 147.72 23.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.784 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 m -65.7 124.71 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.653 HG12 ' SG ' ' A' ' 10' ' ' CYS . 9.6 m -113.97 -21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.21 139.81 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -124.97 115.47 26.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.1 Cg_endo -75.0 57.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.3 133.94 39.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.46 -113.04 2.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.74 -64.43 0.64 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 134.75 54.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -89.49 139.1 14.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.568 1.168 . . . . 0.0 111.051 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.22 130.56 53.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 109.272 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.782 HG21 HG11 ' A' ' 8' ' ' VAL . 4.6 mp -85.06 123.2 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.37 40.92 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.36 165.96 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.69 108.18 6.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.764 HG12 HG12 ' A' ' 8' ' ' VAL . 3.2 mt -72.59 125.85 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.35 -77.21 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -167.64 -173.09 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -72.15 142.79 49.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.525 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.41 156.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 57' ' ' ILE . 11.0 t0 -88.04 -85.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 55' ' ' ASP . 1.1 mt-30 -36.5 96.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 58' ' ' GLU . 16.9 mt -67.25 170.68 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.547 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.586 1.179 . . . . 0.0 110.292 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' SER . 17.4 p80 -86.84 140.0 30.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.614 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.443 ' HA ' ' NE2' ' A' ' 22' ' ' HIS . 2.8 t -38.09 108.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.01 170.36 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.671 ' HE2' HG23 ' A' ' 57' ' ' ILE . 3.3 p90 -105.15 143.31 33.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -144.5 130.66 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HE3' HG13 ' A' ' 54' ' ' VAL . 20.6 ttmt -92.8 120.61 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.779 HG12 HG12 ' A' ' 50' ' ' ILE . 5.4 m -117.85 166.86 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HB3' HD11 ' A' ' 51' ' ' ILE . 15.4 tttt -133.38 135.85 44.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.4 t -71.2 130.12 88.33 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.62 3.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.536 1.809 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -43.22 13.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -75.36 -31.47 60.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.327 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 10' ' ' CYS . 19.3 mt-10 68.88 7.26 6.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -97.28 151.17 20.15 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.603 1.19 . . . . 0.0 109.553 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -87.76 138.15 31.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.45 158.7 43.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.63 HG13 HG21 ' A' ' 54' ' ' VAL . 58.0 t -116.85 118.2 57.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.608 HG12 HG21 ' A' ' 8' ' ' VAL . 1.1 pt -136.56 166.77 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -74.52 151.85 39.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.569 ' HB3' HG11 ' A' ' 6' ' ' VAL . 2.8 p-10 -89.7 19.49 4.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.444 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -176.97 62.23 0.19 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.577 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.3 Cg_endo -74.87 170.35 20.57 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 m -111.61 -32.01 6.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.045 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.34 162.84 13.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.94 138.98 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' CG2' ' A' ' 36' ' ' VAL . 60.5 t -105.15 113.94 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -105.48 139.95 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.496 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.7 t -58.83 122.47 13.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 pt -63.36 -10.66 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 31' ' ' ILE . 2.9 mm -74.54 -80.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -98.0 -41.78 7.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 108.293 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.502 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . 122.84 32.89 0.89 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.12 144.07 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 0.81 . . . . 0.0 110.234 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.2 m -61.8 125.6 24.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.664 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.5 m -113.91 -20.18 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.87 139.41 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.368 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.78 138.2 25.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.96 -8.58 20.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' PRO . 28.6 p 37.16 51.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.375 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.85 -68.44 1.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -105.58 -115.91 4.12 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.82 121.25 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.59 150.56 33.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -124.58 137.55 54.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.664 HG21 HG11 ' A' ' 8' ' ' VAL . 3.6 mt -82.97 112.13 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 38.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.68 162.1 38.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -74.12 119.71 18.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.779 HG12 HG12 ' A' ' 8' ' ' VAL . 3.5 mt -83.55 147.38 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.9 mp -105.53 -52.65 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 168.71 -169.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.391 1.057 . . . . 0.0 110.327 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -75.79 146.54 39.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.058 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -94.22 172.41 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.225 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -98.72 -15.89 19.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.69 93.62 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.671 HG23 ' HE2' ' A' ' 5' ' ' PHE . 7.7 mt -85.07 167.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.517 0.199 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.464 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 0.3 OUTLIER -83.49 139.98 32.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.606 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 2' ' ' HIS . 25.1 p -38.68 147.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.403 1.064 . . . . 0.0 110.012 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 169.31 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 6.8 p90 -94.36 142.03 27.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.167 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -144.67 130.62 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -91.9 120.39 32.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.704 HG12 HG12 ' A' ' 50' ' ' ILE . 13.6 m -117.81 167.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.41 1.069 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 21.1 tttt -128.07 135.11 49.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.654 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.8 t -71.43 129.45 88.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.07 2.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.541 ' CB ' ' NE ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -84.12 -44.43 14.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.88 -31.57 61.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 108.33 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' CYS . 22.1 mt-10 69.6 6.45 5.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -97.48 151.91 19.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.616 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -87.21 131.12 34.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -133.01 162.92 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.69 HG13 HG21 ' A' ' 54' ' ' VAL . 50.6 t -118.98 113.78 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.629 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -138.85 166.07 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -83.86 147.49 27.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.657 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -82.33 112.42 19.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 44' ' ' GLY . 8.5 m170 71.2 65.17 0.41 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.659 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.7 p -117.04 -35.63 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.974 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.26 161.87 13.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.0 mt -64.85 139.45 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.629 HG11 HG21 ' A' ' 19' ' ' ILE . 47.4 t -106.5 114.5 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.76 139.86 38.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.4 t -61.93 122.29 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 108.334 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.446 HG13 HD13 ' A' ' 31' ' ' ILE . 2.3 pt -66.61 -10.54 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.446 HD13 HG13 ' A' ' 30' ' ' ILE . 6.5 mm -74.92 -77.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.385 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.1 t -97.78 -48.75 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 108.236 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 128.95 31.98 0.61 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' NE ' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -90.15 148.63 22.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.462 0.742 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 38' ' ' GLU . 99.4 m -67.87 125.68 27.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.654 HG12 ' SG ' ' A' ' 10' ' ' CYS . 8.1 m -111.39 -20.27 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.191 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.3 136.91 15.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 35' ' ' THR . 3.5 mt-10 -121.58 133.86 24.38 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.3 Cg_endo -75.03 98.48 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 t -88.88 163.09 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.33 101.63 0.1 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.37 90.9 1.28 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.4 mttt 66.28 135.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 22' ' ' HIS . . . -67.97 166.78 43.41 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.44 130.9 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.751 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.822 HD12 HD11 ' A' ' 50' ' ' ILE . 3.5 mt -82.01 110.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 38.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.86 158.36 43.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -73.6 121.17 20.24 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.822 HD11 HD12 ' A' ' 46' ' ' ILE . 2.5 mt -85.21 145.95 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.669 HG22 ' N ' ' A' ' 52' ' ' GLU . 1.6 mp -105.85 -79.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.669 ' N ' HG22 ' A' ' 51' ' ' ILE . 4.0 pt-20 -154.29 -168.56 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.63 147.64 28.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.69 HG21 HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -91.9 175.2 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.96 -10.46 18.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.535 ' NE2' HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -74.84 89.12 2.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.514 HG22 ' H ' ' A' ' 58' ' ' GLU . 8.1 mt -80.5 169.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mtt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.502 0.192 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -71.02 140.16 50.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.603 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 p -38.24 151.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -85.28 170.01 13.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.68 ' CE1' ' CD1' ' A' ' 57' ' ' ILE . 14.0 p90 -102.24 137.76 40.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -143.66 126.81 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 54' ' ' VAL . 22.5 ttmt -91.67 120.14 32.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.571 1.17 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 46' ' ' ILE . 5.5 m -117.65 167.27 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.592 ' HB3' HD11 ' A' ' 51' ' ' ILE . 11.2 tttt -133.97 136.07 43.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.571 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -70.9 129.99 88.96 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.079 . . . . 0.0 108.346 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.79 -43.81 13.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.53 -31.95 62.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 11.8 mt-10 69.57 7.25 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -96.78 150.81 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.24 138.48 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 8' ' ' VAL . 4.1 mt-30 -144.12 153.05 41.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -113.49 116.39 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.866 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -130.23 166.83 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -79.09 151.57 31.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HB3' HG11 ' A' ' 6' ' ' VAL . 44.2 p-10 -85.81 2.13 46.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.505 ' CE1' ' HA ' ' A' ' 43' ' ' LYS . 3.6 t-160 -160.23 62.3 1.77 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.583 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.5 Cg_endo -74.91 174.89 11.97 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.562 1.822 . . . . 0.0 110.983 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 p -113.95 -33.17 5.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.4 162.76 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.81 138.07 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.866 HG11 HG21 ' A' ' 19' ' ' ILE . 31.1 t -98.56 113.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -108.03 139.85 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.236 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 1.8 t -57.38 122.24 12.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.427 HG13 HD13 ' A' ' 31' ' ' ILE . 2.0 pt -65.97 -11.03 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.427 HD13 HG13 ' A' ' 30' ' ' ILE . 6.2 mm -75.8 -78.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.1 t -96.93 -49.85 4.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.16 . . . . 0.0 108.276 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 129.85 32.01 0.57 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.48 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.25 146.95 23.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.346 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 m -63.62 124.97 22.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.571 HG12 ' SG ' ' A' ' 10' ' ' CYS . 3.7 m -112.61 -28.26 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -158.89 142.47 15.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.45 132.08 24.22 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 68.84 5.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.8 p -45.87 100.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 110.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.34 -102.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.41 -97.52 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -67.18 144.93 55.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 0.777 . . . . 0.0 109.255 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.11 155.19 22.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.07 131.49 53.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.744 HD13 HD11 ' A' ' 50' ' ' ILE . 3.9 mp -85.32 123.07 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -98.84 36.76 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.48 165.63 28.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.18 115.95 15.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.744 HD11 HD13 ' A' ' 46' ' ' ILE . 3.3 mt -79.37 133.97 28.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.592 HD11 ' HB3' ' A' ' 9' ' ' LYS . 1.8 mp -88.26 -51.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER 164.46 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -71.27 137.87 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 55' ' ' ASP . 1.3 t -71.29 176.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' H ' HG12 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -109.61 -83.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 3.6 tt0 -65.12 92.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.68 ' CD1' ' CE1' ' A' ' 5' ' ' PHE . 41.9 mt -61.18 169.95 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.561 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.477 0.18 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -91.23 140.12 30.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.584 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t 68.6 158.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.461 HH21 ' HE1' ' A' ' 53' ' ' TYR . 17.6 ttp-105 -94.95 168.99 10.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.688 ' CE1' ' CD1' ' A' ' 57' ' ' ILE . 19.4 p90 -97.54 136.66 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -143.57 126.73 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' N ' HG22 ' A' ' 54' ' ' VAL . 20.2 ttmt -91.4 121.12 32.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.792 HG12 HG12 ' A' ' 50' ' ' ILE . 10.0 m -120.59 167.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -131.94 137.29 47.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.659 ' SG ' HG12 ' A' ' 36' ' ' VAL . 1.6 t -71.16 129.65 88.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -36.29 2.66 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.426 1.751 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' OD1' ' NH2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -83.83 -43.42 15.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -74.84 -38.95 61.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.333 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' CYS . 4.2 mt-10 77.76 6.66 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -97.02 151.26 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.83 138.16 31.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.02 156.3 44.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.422 HG13 HG21 ' A' ' 54' ' ' VAL . 44.5 t -114.98 114.23 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.852 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -132.65 165.91 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -75.4 151.52 38.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.803 ' HB3' HG11 ' A' ' 6' ' ' VAL . 20.1 p-10 -86.21 -2.97 58.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.227 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 1.6 t60 -156.72 63.15 3.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.6 Cg_endo -74.87 177.81 8.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.4 p -115.21 -33.8 5.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.63 162.45 13.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.631 1.207 . . . . 0.0 110.382 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.1 mt -64.77 139.93 20.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.852 HG11 HG21 ' A' ' 19' ' ' ILE . 36.3 t -104.64 114.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -104.13 142.94 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 3.0 t -58.09 134.89 56.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.435 HG13 HD13 ' A' ' 31' ' ' ILE . 2.4 pt -77.5 -9.76 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.435 HD13 HG13 ' A' ' 30' ' ' ILE . 7.0 mm -78.62 -81.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.6 t -93.38 -52.34 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 108.295 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 132.11 34.07 0.39 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.488 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -90.08 150.08 22.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.5 m -68.53 125.54 26.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.659 HG12 ' SG ' ' A' ' 10' ' ' CYS . 15.3 m -113.38 -32.64 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.76 138.22 21.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.6 132.06 23.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 18.2 Cg_endo -75.0 98.1 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.443 1.76 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.3 p -69.11 -7.29 34.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.99 -73.17 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.99 87.18 1.35 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' GLY . 0.5 OUTLIER 73.29 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 0.811 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -37.72 157.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.65 131.39 56.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 0.715 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.766 HD12 HD11 ' A' ' 50' ' ' ILE . 3.3 mt -84.49 112.02 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -92.05 36.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 9' ' ' LYS . . . -145.76 162.33 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -74.79 124.02 26.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.792 HG12 HG12 ' A' ' 8' ' ' VAL . 4.0 mt -87.15 145.38 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.1 mp -101.71 -50.75 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.5 OUTLIER 168.01 -171.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.461 ' HE1' HH21 ' A' ' 4' ' ' ARG . 23.7 m-85 -71.21 140.46 50.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -72.24 163.62 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 9.5 t0 -98.18 -88.6 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.49 92.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.359 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.688 ' CD1' ' CE1' ' A' ' 5' ' ' PHE . 37.7 mt -62.67 170.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.553 ' N ' HG22 ' A' ' 57' ' ' ILE . 4.9 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.449 0.166 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -92.59 140.51 29.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.58 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -37.29 142.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -105.01 170.58 7.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 54' ' ' VAL . 1.2 p90 -103.05 150.03 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.75 125.84 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' CB ' HG22 ' A' ' 54' ' ' VAL . 14.4 ttmt -93.89 120.69 34.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.824 HG11 HG21 ' A' ' 46' ' ' ILE . 6.2 m -118.6 167.2 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 6.6 tttt -134.93 136.72 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.641 ' SG ' HG12 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -70.9 130.66 88.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.274 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -35.69 3.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -40.73 16.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.523 ' CB ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -78.51 -30.4 47.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 108.291 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 10' ' ' CYS . 10.4 mt-10 67.64 8.17 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -97.18 150.84 20.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 109.658 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -88.45 138.29 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -142.73 159.34 42.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG13 HG21 ' A' ' 54' ' ' VAL . 48.7 t -118.51 119.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.827 HG21 HG11 ' A' ' 27' ' ' VAL . 1.1 pt -133.72 166.65 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -78.81 151.65 31.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -82.86 -9.96 59.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' N ' ' HD3' ' A' ' 23' ' ' PRO . 57.9 t-80 -144.42 63.44 11.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.597 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 22' ' ' HIS . 18.2 Cg_endo -75.05 166.96 28.06 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.2 t -113.67 -31.58 6.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.81 161.98 13.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.611 1.194 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -64.98 139.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.261 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.827 HG11 HG21 ' A' ' 19' ' ' ILE . 17.9 t -100.91 113.64 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -107.43 138.39 43.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 33' ' ' GLY . 2.5 t -56.23 122.38 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.21 -10.99 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 31' ' ' ILE . 5.2 mm -78.75 -81.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 t -90.4 -52.04 5.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 29' ' ' CYS . . . 130.07 30.92 0.6 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -89.84 147.32 23.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 0.804 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 m -62.22 125.78 25.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG12 ' SG ' ' A' ' 10' ' ' CYS . 2.5 m -113.9 -13.12 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.16 138.06 4.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 0.3 OUTLIER -125.06 134.38 25.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 38' ' ' GLU . 18.3 Cg_endo -75.02 58.78 5.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 40' ' ' THR . 7.6 t -37.81 112.27 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.35 -98.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.9 -57.88 0.68 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -70.27 165.27 22.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 39' ' ' PRO . . . -113.63 130.43 9.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.79 129.49 56.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.313 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.824 HG21 HG11 ' A' ' 8' ' ' VAL . 3.3 mp -84.16 115.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 41.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' H ' HG22 ' A' ' 46' ' ' ILE . . . -145.5 164.84 30.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -73.57 113.7 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.739 HG12 HG12 ' A' ' 8' ' ' VAL . 2.8 mt -81.2 142.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.7 mp -100.18 -49.84 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 0.2 OUTLIER 160.65 -170.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -72.53 141.17 48.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' O ' ' CE1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -85.28 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.27 -17.6 14.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.37 82.81 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.527 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . 3.7 mt -62.16 170.94 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.527 ' H ' HG22 ' A' ' 57' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 stop_ save_