data_1ujo_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 1ujo _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 ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.34 -62.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.22 -56.44 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.4 -56.1 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -60.45 -52.15 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 HD21 ' CB ' ' A' ' 114' ' ' LEU . 20.6 mt -40.66 -54.51 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.557 HG13 ' CH2' ' A' ' 39' ' ' TRP . 74.9 t -60.84 -50.62 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -46.67 -25.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.457 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.3 t90 -84.36 -56.33 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mt -52.7 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 23' ' ' GLY . 37.2 t -73.36 -53.68 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -66.04 -38.88 83.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -63.68 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.01 -54.14 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 113.82 177.13 19.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.07 3.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.86 -45.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.16 -27.11 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.01 -151.54 26.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -136.84 174.14 4.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.74 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' TRP . 40.8 t80 -73.98 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -46.29 -42.14 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.245 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.1 t -69.5 -34.98 64.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.6 t90 -59.51 -43.69 93.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 48.1 mt -103.77 42.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 13.0 tttt -104.38 -60.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -42.06 -55.78 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.51 -32.46 6.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.9 t -43.92 -48.37 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.25 -41.92 94.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 ' CE2' ' A' ' 81' ' ' PHE . 26.3 mt -62.33 -51.81 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.3 m -58.19 -33.23 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -68.26 -38.71 82.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.56 -70.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 p -41.24 -49.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -56.37 -51.99 66.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 p -40.62 -38.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' TYR . 9.6 mt -75.16 -72.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 13.2 m-85 -35.13 150.76 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.6 5.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -32.06 53.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.23 38.08 3.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -145.5 -72.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.07 90.44 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.99 -51.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.813 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 62' ' ' LYS . 48.4 t -90.47 168.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 61' ' ' VAL . 25.9 mttt -127.97 107.68 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.5 t -97.33 118.44 64.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 177.32 8.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.98 -58.5 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -101.61 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.22 31.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -174.08 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.11 -46.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mtt -43.28 158.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -72.39 -64.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -40.0 -42.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -67.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.58 -51.49 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.451 ' HE2' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.24 -47.91 71.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.21 -49.38 72.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -41.72 -43.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' PHE . 97.1 t -68.94 -54.01 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.0 -45.55 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -52.63 -41.6 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CE2' HD23 ' A' ' 46' ' ' LEU . 2.7 t80 -76.95 -44.47 31.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.532 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 mt -51.95 -57.52 9.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -57.63 -41.05 80.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.77 96.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.48 -56.88 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -43.96 -52.17 7.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.35 -54.46 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.555 ' CD2' HD13 ' A' ' 117' ' ' LEU . 4.9 t80 -40.32 -40.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.82 -17.63 1.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 96.5 t -43.52 151.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.403 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 25.7 pt -96.95 -170.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -102.69 2.03 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.73 -6.57 23.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 91' ' ' ILE . 7.2 p30 -115.92 -7.96 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 68.8 mmm -88.49 140.18 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 16.0 p90 -107.09 -176.14 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mm-40 -101.03 137.54 39.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' GLN . 86.6 m -37.82 -41.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.9 p -65.15 -52.37 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 88.0 m-20 -39.68 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -99.26 -61.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 11.6 t80 -45.8 -56.48 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 26.2 mt-10 -100.18 23.91 9.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.61 29.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -47.77 -36.8 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -152.07 112.86 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 40.0 mmm -86.21 -32.28 21.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.06 -30.72 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -79.22 -51.18 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.569 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 74.0 t -40.04 -30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 70.3 mt-30 -80.8 -53.99 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -36.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.4 m -66.37 -68.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.454 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.434 ' CB ' HD21 ' A' ' 14' ' ' LEU . 16.0 mt -50.48 -46.53 57.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -34.59 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.87 -53.63 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -44.93 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -40.69 -64.64 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -46.07 -48.33 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.34 -43.23 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.57 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.66 -33.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.416 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 1.7 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.1 15.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -88.58 45.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.416 ' NE1' ' HB2' ' A' ' 132' ' ' ASP . 18.4 m0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.011 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.88 -46.18 85.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.41 -50.77 66.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -45.22 -47.37 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' LEU . 3.8 mtt180 -58.78 -52.95 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' CD2' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -40.63 -55.16 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.571 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 91.9 t -64.84 -59.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -41.35 -29.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.479 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.5 t90 -77.67 -58.84 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -48.95 -23.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 54.3 t -71.75 -52.75 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -68.54 -37.47 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.479 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.9 mm-40 -62.99 -69.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.3 m -65.59 -53.49 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 115.89 177.34 18.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.69 4.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -127.62 -45.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.46 -27.13 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.5 -140.54 15.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -149.96 164.68 19.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -42.7 -52.01 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tt0 -48.61 -50.45 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 94.5 t -60.87 -48.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.571 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 6.5 t90 -49.99 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 38.4 mt -115.24 38.51 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 8.3 tttt -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -40.99 -50.35 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.18 43.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.77 -49.78 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.02 -42.01 81.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD21 ' CE2' ' A' ' 81' ' ' PHE . 24.5 mt -56.06 -49.13 74.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -59.63 -40.92 89.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -59.28 -39.37 82.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' SER . 30.0 tp -56.53 -73.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -42.86 -48.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -57.5 -42.18 82.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.1 p -49.38 -35.82 19.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 88' ' ' TYR . 38.0 mt -71.37 -84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 62.0 m-85 -35.9 149.84 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.34 10.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 10.4 pt-20 -70.67 -23.44 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.4 19.42 27.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -130.2 -71.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 mptm? 41.43 85.73 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -75.03 -44.77 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.6 160.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -120.94 100.4 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 p -108.78 125.73 31.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 6.4 3.42 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 74.91 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -72.08 127.34 90.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.94 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.16 155.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.5 ' CG2' ' OH ' ' A' ' 102' ' ' TYR . 24.9 t -82.58 -58.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -40.91 -45.62 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -63.51 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -41.07 -49.5 3.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -59.85 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.19 -52.95 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -39.13 -49.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -60.68 -58.1 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.17 -49.13 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -53.0 -41.19 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.472 ' CE2' HD21 ' A' ' 46' ' ' LEU . 2.0 t80 -76.76 -45.53 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.4 mt -49.18 -56.43 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.64 -39.33 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.17 99.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.24 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -47.92 83.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.44 -39.22 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.562 ' CE1' HD13 ' A' ' 53' ' ' LEU . 4.2 t80 -53.61 -51.93 61.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.99 43.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.46 148.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.491 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 14.5 pt -76.53 179.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 6.36 44.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.491 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 0.9 OUTLIER -110.56 -0.87 17.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.407 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 91' ' ' ILE . 0.9 OUTLIER -111.02 -18.35 13.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.7 mmm -75.46 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 9.2 p90 -108.31 177.32 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.5 mt-30 -98.95 138.73 35.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -42.76 -34.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -74.27 -43.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' GLN . 94.7 m-20 -48.66 -24.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -107.12 -71.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.5 ' OH ' ' CG2' ' A' ' 71' ' ' VAL . 24.7 t80 -40.17 -51.11 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -88.2 -18.55 28.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.94 34.27 76.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.98 -46.97 85.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -137.48 104.09 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -43.93 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.24 -36.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -72.48 -53.45 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.565 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 86.4 t -40.5 -29.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 109' ' ' ALA . 81.2 mt-30 -82.09 -52.36 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -38.21 -34.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 m -68.73 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.7 mt -47.88 -47.87 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.9 mtt -48.5 -26.43 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.92 -57.99 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 88' ' ' TYR . 17.2 tp -40.54 -49.63 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -61.17 -67.73 1.99 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -39.25 -45.08 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.971 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.69 -50.1 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -66.11 -23.55 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.465 HG11 ' CA ' ' A' ' 133' ' ' PRO . 40.3 t -79.65 -67.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 52.9 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.465 ' CA ' HG11 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.94 -35.31 3.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.99 -21.72 8.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 33.9 m0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 107.99 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.475 HD21 ' CG ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -40.32 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.65 -50.18 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.63 -52.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -58.28 5.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 2.7 mp -42.21 -46.73 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.07 -61.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -43.43 -32.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.563 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.7 t90 -75.61 -58.23 3.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 10.7 mt -49.35 -23.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 32.8 t -71.88 -53.15 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -69.12 -40.83 81.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.563 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.8 mm-40 -56.9 -67.73 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.2 -54.42 14.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.77 175.54 15.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -129.2 -46.45 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 45' ' ' ILE . 34.4 m -69.01 -30.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.23 -155.6 28.7 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -119.78 171.8 5.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.328 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.504 1.791 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -51.02 -37.09 43.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.8 tm0? -62.38 -51.22 68.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.18 -40.68 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 20.1 t90 -53.96 -38.71 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 21.1 mt -110.23 43.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -105.28 -58.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -41.29 -54.04 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.41 -32.53 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.7 t -43.11 -42.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.401 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 10.3 mt -68.27 -48.63 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 29.1 mt -56.4 -46.08 80.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.455 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 35.2 p -62.95 -35.71 81.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -67.18 -35.27 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 21' ' ' GLN . 16.1 tp -58.58 -71.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.72 -42.06 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.21 -59.26 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.38 -46.52 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' A' ' 88' ' ' TYR . 56.6 mt -61.21 -78.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 60' ' ' PRO . 24.8 m-85 -36.17 151.1 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.44 20.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.39 -39.71 95.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.5 44.58 3.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.64 -73.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 42.18 89.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -60.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.752 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 45.2 t -78.44 166.97 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -130.43 104.74 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -115.8 126.76 27.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.04 179.74 5.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.43 -34.78 76.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -112.4 159.45 33.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 139.5 24.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.763 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -169.26 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.63 -157.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.95 166.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.77 -61.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -42.48 -48.62 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -62.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -42.64 -58.06 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.567 ' HE1' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -49.36 -49.33 44.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -50.85 58.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -39.82 -55.02 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 81' ' ' PHE . 55.1 t -60.94 -56.36 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.6 -50.72 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.7 -41.95 44.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -74.38 -45.87 44.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 96' ' ' PHE . 31.9 mt -48.29 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -48.04 -41.99 27.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.46 89.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.75 -29.16 70.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.94 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -49.78 -44.07 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 117' ' ' LEU . 7.4 t80 -45.3 -37.12 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.51 39.42 0.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 120' ' ' LEU . 55.3 t -104.18 137.44 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.432 ' CG1' ' CG ' ' A' ' 94' ' ' ASP . 13.1 pt -67.89 -175.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -99.42 -15.96 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 93' ' ' THR . 0.7 OUTLIER -90.97 2.76 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' CG1' ' A' ' 91' ' ' ILE . 83.8 m-20 -110.59 -21.49 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 55.3 mmm -77.28 168.43 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.552 ' CE1' HD23 ' A' ' 82' ' ' LEU . 46.0 p90 -129.88 178.94 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' ASP . 9.0 mt-30 -99.88 131.9 45.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' GLN . 5.9 m -37.06 -47.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 103' ' ' GLU . 9.8 p -56.08 -52.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 37.4 m-20 -40.0 -30.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 18.0 tp -99.94 -62.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CD2' ' HE1' ' A' ' 75' ' ' MET . 10.3 t80 -46.7 -57.52 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.468 ' CG ' HG21 ' A' ' 99' ' ' VAL . 51.1 mm-40 -98.2 23.28 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.69 35.53 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -55.96 -23.3 31.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.8 113.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 46.6 mmm -85.65 -34.11 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.59 61.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.22 36.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.519 HG22 ' CD2' ' A' ' 96' ' ' PHE . 84.8 t -48.36 -26.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -83.15 -50.32 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -31.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 34.5 m -67.97 -62.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mt -46.28 -49.58 17.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.475 ' CG ' HD21 ' A' ' 10' ' ' LEU . 86.2 mmm -50.76 -35.48 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.7 -49.18 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 88' ' ' TYR . 16.5 tp -50.39 -49.16 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.12 -60.21 9.46 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 t -43.79 -49.2 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 90' ' ' VAL . 1.4 mt -49.24 -39.98 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -75.19 -33.63 61.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 56.7 t -61.04 -37.49 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -44.04 -27.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 22.2 m0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.998 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.63 -42.64 67.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -61.54 -53.95 49.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 2.5 mm-40 -38.71 -44.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -54.59 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 10' ' ' LEU . 72.0 mt -44.17 -60.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.416 ' CG1' ' HG2' ' A' ' 28' ' ' ARG . 57.7 t -56.44 -51.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 4.5 mm-40 -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.474 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 22.7 t90 -84.24 -61.07 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -47.55 -24.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 38.3 t -69.74 -53.66 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -68.22 -40.08 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.7 mm-40 -59.11 -69.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' CB ' HG23 ' A' ' 26' ' ' VAL . 3.2 m -66.96 -54.42 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.99 -179.76 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.67 3.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 -51.19 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' CB ' ' A' ' 22' ' ' CYS . 16.5 m -64.02 -30.32 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.04 -151.03 21.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -133.64 158.69 74.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CZ ' HD13 ' A' ' 40' ' ' LEU . 31.5 t80 -49.8 -58.36 5.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.45 -67.12 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.4 t -40.56 -43.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -51.45 -51.8 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' GLN . 5.1 mt -106.96 48.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -100.36 -64.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -51.58 -51.1 58.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.4 11.32 31.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.52 1.138 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.12 -56.86 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.61 -40.8 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.75 -51.31 63.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.4 m -56.58 -46.02 81.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -54.28 -38.8 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD11 ' CG ' ' A' ' 21' ' ' GLN . 22.4 tp -58.0 -70.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.9 p -46.81 -44.46 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' SER . 7.5 m-80 -59.3 -52.89 63.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASN . 10.6 p -39.13 -39.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' TYR . 28.3 mt -66.7 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.9 m-85 -36.55 154.78 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.48 -30.62 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.59 38.32 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.66 -71.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.23 88.4 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.99 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.26 159.38 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -120.68 98.5 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.91 114.77 65.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -69.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -78.0 145.26 69.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.42 39.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.76 16.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -56.95 3.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.95 149.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.04 -65.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -38.51 -47.85 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.32 -57.1 14.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -48.25 -58.74 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 6.5 mmm -47.78 -46.01 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.76 -51.21 70.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -39.16 -48.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.65 -51.55 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.27 -41.9 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -56.55 -45.55 81.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -72.49 -42.31 65.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.9 mt -51.64 -61.73 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -53.89 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.22 99.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.49 -37.98 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -53.42 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.39 -39.87 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.544 ' CD2' HD12 ' A' ' 117' ' ' LEU . 2.2 t80 -53.64 -54.18 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.26 44.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 120' ' ' LEU . 62.7 t -103.61 138.76 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.412 ' N ' HG13 ' A' ' 90' ' ' VAL . 14.7 pt -74.19 174.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -92.89 3.57 55.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.37 -4.75 25.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.379 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.53 -13.34 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.5 mmm -82.4 147.22 28.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 20.1 p90 -116.51 179.2 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' ASP . 3.1 mt-30 -98.82 138.16 36.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' GLN . 17.7 m -37.56 -40.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.7 p -65.22 -52.59 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.462 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 97.3 m-20 -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 25.8 tp -98.06 -61.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 75' ' ' MET . 19.2 t80 -49.06 -56.39 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 99' ' ' VAL . 50.4 mm-40 -89.15 11.9 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.13 42.78 0.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -68.52 -30.2 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.65 107.56 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.4 ' HE1' ' CG ' ' A' ' 37' ' ' GLN . 2.6 mmt -80.53 -36.52 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.05 97.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -61.31 -55.71 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.571 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 93.5 t -39.82 -33.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -77.91 -51.72 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -33.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.7 m -73.82 -65.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.425 ' CB ' HD21 ' A' ' 14' ' ' LEU . 13.5 mt -54.01 -43.51 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.461 ' HE3' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -48.09 -39.34 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.27 -52.13 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.544 HD12 ' CD2' ' A' ' 88' ' ' TYR . 16.7 tp -43.12 -60.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -51.22 -63.95 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -44.1 10.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.421 ' CD1' HG22 ' A' ' 90' ' ' VAL . 2.5 mt -54.54 -45.87 73.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.43 68.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.413 HG11 ' CB ' ' A' ' 133' ' ' PRO . 65.3 t -64.49 -39.92 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.418 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.411 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 11.7 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.413 ' CB ' HG11 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.04 -24.13 13.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -86.8 47.88 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.411 ' NE1' ' HB2' ' A' ' 132' ' ' ASP . 19.4 m0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.19 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -39.04 -55.45 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.47 -52.79 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -63.56 -56.78 13.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 111' ' ' GLN . 19.6 mt -41.52 -56.08 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.568 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 97.8 t -60.15 -51.41 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -47.49 -26.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.503 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -82.73 -60.36 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG23 ' CH2' ' A' ' 39' ' ' TRP . 13.2 mt -47.68 -24.75 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' GLY . 21.6 t -69.64 -56.11 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -64.94 -38.84 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.4 mm-40 -60.59 -71.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.14 -54.04 46.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.05 175.67 16.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -128.31 -44.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 m -72.18 -28.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.56 -156.59 29.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -120.96 167.98 11.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -37.81 -58.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' CG ' ' HE2' ' A' ' 107' ' ' MET . 0.9 OUTLIER -43.76 -55.48 4.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -43.63 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 7.7 t90 -50.46 -38.15 42.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 44.5 mt -111.7 44.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 50.9 tttt -108.55 -56.18 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -44.01 -41.32 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.61 -33.06 5.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.2 t -45.02 -49.56 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.5 mt -60.02 -41.75 87.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.432 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 39.0 mt -63.22 -49.86 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.407 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 59.9 p -59.29 -37.43 77.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -65.85 -32.3 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 HD12 ' CG ' ' A' ' 21' ' ' GLN . 20.3 tp -63.08 -74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.6 p -41.62 -47.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.03 -58.65 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -40.52 -49.37 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 61.3 mt -55.02 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -39.12 138.57 0.85 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.4 Cg_endo -74.98 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.24 137.12 57.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.77 -9.94 58.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -100.85 -28.33 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -39.01 110.09 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 70.0 t -75.03 157.76 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -122.59 98.99 6.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.11 113.34 15.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.26 42.91 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.26 -56.82 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -98.95 157.97 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 73' ' ' LYS . 18.3 Cg_endo -74.98 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER 79.73 -58.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mtt -59.84 139.55 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.498 ' CG2' ' OH ' ' A' ' 102' ' ' TYR . 60.3 t -48.77 -74.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -38.89 -39.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -68.04 -61.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -44.41 -57.14 3.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.514 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 7.3 mmm -45.99 -42.83 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -48.22 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -42.13 -51.83 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.26 -49.41 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.96 -48.08 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -51.3 -41.83 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -75.82 -47.64 24.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.543 ' CD2' ' CE1' ' A' ' 96' ' ' PHE . 32.2 mt -46.38 -62.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -51.51 -41.23 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.82 99.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.59 -43.79 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.94 71.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -47.6 -47.9 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.56 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.4 t80 -45.65 -33.44 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.23 39.38 0.48 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 120' ' ' LEU . 44.8 t -105.27 136.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.5 pt -73.69 169.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -87.96 6.57 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.24 -11.65 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.23 -14.7 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 50.0 mmm -76.26 152.81 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.543 ' CE1' ' CD2' ' A' ' 82' ' ' LEU . 41.0 p90 -111.42 -179.89 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.8 mm-40 -103.3 128.62 50.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.2 m -36.8 -45.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.9 p -58.84 -52.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.461 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 76.6 m-20 -41.21 -28.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 11.3 tp -98.79 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CE1' ' HE3' ' A' ' 41' ' ' LYS . 37.8 t80 -48.42 -53.96 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' LYS . 5.7 mm-40 -97.54 18.77 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -52.41 -41.42 63.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -150.34 100.61 2.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.465 ' HE2' ' CG ' ' A' ' 37' ' ' GLN . 1.5 mmt -67.92 -39.76 83.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -58.03 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -47.01 -60.53 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 109' ' ' ALA . 25.6 t -39.29 -41.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 58.8 mt-30 -74.16 -49.56 23.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -30.64 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 42.0 m -77.35 -61.26 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.425 ' CB ' HD22 ' A' ' 14' ' ' LEU . 15.3 mt -49.95 -46.67 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -40.03 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 117' ' ' LEU . . . -80.25 -53.27 6.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 88' ' ' TYR . 22.8 tp -40.38 -47.66 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.3 -66.35 2.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 t -43.03 -46.65 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.494 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.2 mt -52.67 -42.26 64.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.465 ' CB ' ' OH ' ' A' ' 88' ' ' TYR . . . -71.61 -32.09 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.37 -52.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.13 16.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -87.27 46.78 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 19.7 m0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -65.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.92 -59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -41.56 -49.57 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -57.37 7.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.1 mt -41.28 -55.82 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.552 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 60.4 t -59.17 -49.93 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.8 mm-40 -49.96 -25.57 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.555 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 25.9 t90 -83.5 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 HG21 ' CH2' ' A' ' 39' ' ' TRP . 11.2 mt -42.67 -29.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.7 t -64.29 -55.2 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.427 ' CG2' ' N ' ' A' ' 21' ' ' GLN . 1.1 m -66.94 -44.92 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.527 ' HG3' ' CE2' ' A' ' 17' ' ' TRP . 4.4 mm-40 -57.01 -67.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.1 m -63.38 -54.06 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 115.47 176.21 18.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.42 3.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.13 -47.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.5 -32.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.42 -141.73 16.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -128.85 165.82 29.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 40' ' ' LEU . 51.1 t80 -41.76 -51.55 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.47 ' CG ' ' HE3' ' A' ' 107' ' ' MET . 0.9 OUTLIER -42.75 -64.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.3 -47.09 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.552 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 2.8 t90 -43.48 -46.0 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 36' ' ' PHE . 13.8 mt -111.8 53.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -107.36 -65.86 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -41.57 -49.6 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.65 -20.97 24.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 67' ' ' PRO . 54.0 t -51.88 -49.69 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mt -60.83 -37.87 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 33.4 mt -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.6 p -64.5 -40.86 96.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE2' ' CG1' ' A' ' 63' ' ' VAL . 26.2 mttm -62.08 -33.16 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' A' ' 21' ' ' GLN . 29.7 tp -60.5 -74.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 51' ' ' ASN . 10.3 p -42.41 -45.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' SER . 1.0 OUTLIER -50.67 -59.93 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -38.45 -47.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' TYR . 30.4 mt -59.6 -82.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 41.8 m-85 -37.18 149.88 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -172.85 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 8.6 pt-20 -81.86 -26.55 34.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.49 17.35 34.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -71.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' CE ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 41.75 89.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.06 -61.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 157.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.53 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.449 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 67.2 t -81.06 114.21 47.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -173.42 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.87 -56.35 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -129.54 153.23 80.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.468 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 136.37 20.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.432 1.754 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.99 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.44 -40.31 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.71 163.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.2 t -82.63 -63.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -38.89 -47.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -61.2 -65.32 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -44.4 -56.96 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -51.57 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.46 -54.2 48.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -39.82 -46.75 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' PHE . 78.5 t -65.41 -57.96 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.53 -46.61 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -52.08 -45.95 65.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 1.2 t80 -70.52 -46.86 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.532 HD23 ' CZ ' ' A' ' 96' ' ' PHE . 26.8 mt -46.31 -53.5 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -59.12 -40.74 86.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.84 98.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.8 -54.47 46.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.22 -35.11 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -59.44 -46.59 88.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.576 ' CD2' HD12 ' A' ' 117' ' ' LEU . 1.5 t80 -49.66 -55.39 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.08 43.07 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.33 135.23 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.425 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 25.8 pt -58.91 174.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -91.7 -10.48 40.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.425 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 67.7 p -97.08 4.07 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' CG ' ' CG1' ' A' ' 91' ' ' ILE . 61.9 m-20 -108.31 -21.98 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.12 129.27 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.532 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 13.1 p90 -107.08 179.01 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.7 mt-30 -95.61 133.94 39.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.4 m -38.61 -42.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 7.4 p -62.62 -52.18 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.474 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 73.9 m-20 -38.33 -32.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 14.7 tp -101.03 -65.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -42.01 -49.49 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' LYS . 72.0 mm-40 -104.68 23.77 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 34.68 35.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -57.51 -44.3 84.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -143.75 97.59 3.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.47 ' HE3' ' CG ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -69.11 -38.67 79.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.81 -41.0 31.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -67.52 -54.46 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.52 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 57.8 t -39.55 -34.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -75.04 -52.53 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -35.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.4 m -72.27 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -28.22 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.58 -55.1 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -46.26 -60.52 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.555 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -48.14 -67.69 1.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -44.87 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.52 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 1.3 mt -53.43 -47.27 69.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.29 93.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.3 t -64.58 -50.11 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.515 ' HB2' ' CE2' ' A' ' 135' ' ' TRP . 1.5 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.47 8.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 132' ' ' ASP . 22.4 m0 . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 115' ' ' MET . 0.6 OUTLIER -49.13 -68.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.49 -57.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.11 -49.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 13.4 ttm105 -67.61 -56.76 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD2' ' HG2' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -40.14 -52.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.551 HG12 ' CH2' ' A' ' 39' ' ' TRP . 60.7 t -65.77 -61.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' VAL . 1.8 mt-10 -38.6 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.448 ' C ' ' N ' ' A' ' 19' ' ' VAL . 12.6 t90 -76.26 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.556 HG21 ' CH2' ' A' ' 39' ' ' TRP . 6.7 mt -42.37 -27.8 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.9 t -62.22 -53.73 43.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' CG2' ' N ' ' A' ' 21' ' ' GLN . 1.1 m -65.89 -50.45 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.517 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -51.79 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.45 -53.88 50.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 110.08 178.29 20.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.44 3.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.81 -47.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.33 -32.59 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.58 -129.58 9.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -163.01 169.01 9.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -42.38 -60.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CG ' ' HE3' ' A' ' 107' ' ' MET . 1.0 OUTLIER -45.49 -49.85 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.25 -42.84 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.556 ' CH2' HG21 ' A' ' 18' ' ' ILE . 12.9 t90 -53.23 -44.02 67.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 107.999 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 79.3 mt -106.91 42.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -104.35 -57.46 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -40.24 -54.29 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.06 -31.87 7.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.9 t -49.86 -45.75 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.8 mt -60.07 -49.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 101' ' ' LEU . 33.0 mt -53.29 -48.92 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -60.22 -40.99 92.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -61.87 -35.23 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD12 ' CB ' ' A' ' 21' ' ' GLN . 22.7 tp -58.43 -74.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 51' ' ' ASN . 3.3 p -45.32 -46.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 50' ' ' VAL . 8.6 m-80 -56.58 -52.98 62.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -50.5 -53.1 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.491 HD21 ' CG ' ' A' ' 21' ' ' GLN . 46.9 mt -50.27 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 20.3 m-85 -36.06 145.93 0.22 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -57.73 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.95 40.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.85 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.02 101.15 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.435 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.06 -43.25 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.2 t -93.22 152.58 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -115.26 102.1 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 p -106.91 125.62 32.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -75.03 4.12 5.04 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 64' ' ' PRO . 1.4 tt0 79.7 -71.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.06 132.54 82.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.05 30.93 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -88.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.74 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtt -42.38 156.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.9 t -79.27 -53.01 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -45.37 -53.57 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -55.52 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -40.06 -52.13 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -54.86 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.32 -48.34 46.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -41.22 -52.77 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -57.98 -51.85 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.47 -50.57 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -49.63 -40.51 39.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.33 -45.16 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 25.8 mt -50.3 -52.77 33.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.97 -32.23 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.6 -38.32 67.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 86' ' ' GLU . . . -54.59 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -34.91 -48.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -56.73 10.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.579 ' CD2' HD13 ' A' ' 117' ' ' LEU . 7.8 t80 -41.5 -36.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.454 ' CA ' HD11 ' A' ' 120' ' ' LEU . . . 147.56 -18.39 1.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.44 ' CG1' ' OD1' ' A' ' 94' ' ' ASP . 83.9 t -44.11 153.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.513 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 8.6 pt -103.15 -170.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -99.2 -9.57 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.513 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 11.5 p -83.89 -20.6 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 91' ' ' ILE . 6.8 p30 -102.84 -13.36 17.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.42 145.2 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 12.0 p90 -122.64 175.5 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -96.72 137.82 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -43.13 -37.3 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -68.3 -46.82 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 81.9 m-20 -44.52 -27.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 20.9 tp -104.84 -63.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.42 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 16.7 t80 -50.44 -56.81 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.04 10.21 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.08 46.66 1.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -72.67 -42.6 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -150.46 108.55 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.444 ' HE3' ' CG ' ' A' ' 37' ' ' GLN . 43.3 mmm -83.15 -36.16 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.84 -33.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 -49.65 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.479 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 54.4 t -42.45 -31.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.444 ' HG2' ' CD2' ' A' ' 14' ' ' LEU . 72.3 mt-30 -76.56 -52.63 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.33 -34.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 1.6 m -69.06 -55.71 9.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.99 -51.34 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.411 ' CG ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.43 -33.43 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.42 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 88' ' ' TYR . 13.0 tp -47.17 -62.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -44.87 -67.58 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 -46.47 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.454 HD11 ' CA ' ' A' ' 89' ' ' GLY . 3.1 mt -54.59 -45.45 73.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.37 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.457 HG12 ' CB ' ' A' ' 133' ' ' PRO . 54.0 t -68.92 -40.55 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.457 ' CB ' HG12 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -54.22 -20.62 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 28.3 m0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 108.027 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.11 -44.88 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.96 -50.68 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -41.0 -47.98 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -60.93 -53.41 57.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.47 -55.87 2.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.556 HG12 ' CH2' ' A' ' 39' ' ' TRP . 43.2 t -62.71 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.96 -31.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.565 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 18.3 t90 -78.06 -65.51 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -43.71 -27.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLY . 24.5 t -66.81 -54.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -66.5 -37.76 80.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.551 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.5 mm-40 -61.58 -70.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.4 m -63.92 -53.8 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.31 179.1 16.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.37 3.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.81 -52.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.9 m -63.84 -33.63 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.45 -149.26 20.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -129.61 169.05 14.19 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.45 ' CE1' HD13 ' A' ' 40' ' ' LEU . 59.6 t80 -53.39 -42.49 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -50.29 -58.85 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.94 -44.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.556 ' CH2' HG12 ' A' ' 15' ' ' VAL . 7.2 t90 -46.82 -39.3 11.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 50.8 mt -112.32 47.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -109.48 -58.13 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -40.3 -58.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.44 -34.8 4.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.1 t -46.64 -45.26 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.72 -57.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.9 mt -50.51 -42.39 54.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.1 p -66.95 -40.0 87.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -62.43 -35.39 79.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.79 -71.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -45.43 -46.04 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.05 -53.16 59.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.1 p -39.75 -46.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.59 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.443 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 35.2 m-85 -43.86 134.03 3.95 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.2 25.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -50.91 133.22 27.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.71 -30.31 7.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.55 -16.05 50.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.09 101.57 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -70.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.39 158.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -117.56 103.32 9.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -117.32 118.95 35.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.76 -50.88 71.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -98.36 145.97 30.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 144.24 29.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.11 -47.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.12 146.03 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.87 -71.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -40.17 -32.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -65.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -48.41 -54.7 13.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -42.71 39.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.3 -43.08 82.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -46.4 -49.77 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.24 -53.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.08 -49.29 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -50.64 -44.64 57.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.48 -45.72 58.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -48.24 -54.0 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -60.42 -39.62 88.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.7 95.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.73 -29.61 70.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -51.91 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -35.56 51.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CD2' HD12 ' A' ' 117' ' ' LEU . 2.5 t80 -52.8 -50.29 63.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.13 43.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 79.5 t -106.94 133.58 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.421 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 29.2 pt -58.39 -172.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -108.07 -2.58 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.0 p -104.83 3.18 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.44 -14.95 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.42 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 66.6 mmm -84.98 158.93 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 47.5 p90 -125.44 175.45 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -94.43 136.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 9.9 m -36.72 -50.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.8 p -55.1 -53.05 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.474 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 20.7 m-20 -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 19.4 tp -99.51 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.01 -54.96 5.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 99' ' ' VAL . 39.6 mm-40 -100.08 22.63 11.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.57 35.86 0.23 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -28.53 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.41 100.1 1.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -40.47 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.58 -29.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -77.78 -50.6 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.576 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 60.6 t -40.84 -29.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.446 ' N ' ' C ' ' A' ' 109' ' ' ALA . 84.6 mt-30 -76.61 -54.37 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -37.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.7 m -64.8 -65.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 116' ' ' ALA . 6.2 mt -50.12 -53.54 26.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -26.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 114' ' ' LEU . . . -93.11 -57.52 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 88' ' ' TYR . 17.3 tp -42.31 -62.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.565 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -44.5 -64.78 1.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -41.25 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.11 -48.6 79.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.69 81.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.78 -51.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 135' ' ' TRP . 18.2 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -44.47 -27.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.403 ' N ' ' C ' ' A' ' 133' ' ' PRO . 37.1 m0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.064 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -61.51 1.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -61.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -41.36 -55.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -61.75 -54.53 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 114' ' ' LEU . 20.6 mt -41.06 -54.37 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.559 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 47.0 t -61.14 -50.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -44.64 -26.7 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.498 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -81.65 -59.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' CH2' ' A' ' 39' ' ' TRP . 8.0 mt -48.78 -23.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 38.9 t -71.32 -53.45 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -66.13 -38.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.0 mm-40 -64.22 -71.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.7 m -61.18 -53.48 56.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.79 176.96 20.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.02 -45.6 1.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.15 -30.04 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.14 -143.86 16.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.454 1.097 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -141.74 170.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -52.35 -44.41 65.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.466 ' CG ' ' HE3' ' A' ' 107' ' ' MET . 1.6 tm0? -55.76 -49.83 72.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.31 -36.34 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 3.2 t90 -54.53 -38.05 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 26.1 mt -112.52 43.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 41.0 tttt -108.52 -59.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -40.5 -51.42 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.83 -29.5 11.2 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 68' ' ' PRO . 40.1 t -45.56 -55.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 48' ' ' LYS . 6.1 mt -55.91 -58.3 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 81' ' ' PHE . 25.3 mt -49.1 -41.54 36.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.9 m -66.17 -28.74 69.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' ILE . 35.4 mttm -76.92 -37.96 54.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 21' ' ' GLN . 14.4 tp -58.81 -71.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.0 p -41.74 -47.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.5 -53.49 57.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -43.14 -40.59 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 40.3 mt -65.54 -80.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.1 m-85 -36.49 152.97 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.3 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 7.0 pt-20 -91.27 -23.29 20.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.81 19.72 28.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -130.98 -69.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 mptm? 42.22 85.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -75.0 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.767 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -89.49 165.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.363 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -130.7 98.79 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.1 t -73.08 113.96 26.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -48.68 -48.54 39.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -98.6 152.89 38.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.03 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.2 OUTLIER 84.6 -63.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.3 mtt -56.43 153.2 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.41 -69.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -44.36 -40.94 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 34.1 mmtt -68.1 -59.77 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -48.81 -54.23 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.33 -49.22 64.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.23 -51.14 70.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -42.56 -47.98 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.12 -50.6 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.62 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -49.56 -41.79 42.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.94 -46.29 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.5 mt -49.72 -62.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -53.09 -40.47 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.95 97.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.66 68.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -55.2 37.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' TYR . 6.5 m-20 -45.05 -54.33 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.474 ' CD2' HD12 ' A' ' 117' ' ' LEU . 6.2 t80 -37.03 -35.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.93 -14.31 2.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 91' ' ' ILE . 76.7 t -48.93 150.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.521 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 14.3 pt -96.46 -171.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.16 0.56 34.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.521 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 8.4 p -100.26 -12.49 19.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' HG13 ' A' ' 91' ' ' ILE . 14.4 p30 -108.57 -12.6 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 56.9 mmm -81.28 146.46 30.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 9.5 p90 -110.86 -176.65 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' ASP . 8.9 mt-30 -100.91 134.22 44.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.0 m -38.62 -38.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 6.5 p -67.45 -52.1 45.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.48 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 84.5 m-20 -40.48 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 10.8 tp -100.47 -63.36 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 41' ' ' LYS . 22.5 t80 -42.44 -56.56 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' LYS . 2.2 mm-40 -99.9 21.58 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.99 29.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.2 mmtt -49.83 -28.65 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -160.41 100.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.466 ' HE3' ' CG ' ' A' ' 37' ' ' GLN . 1.1 mmt -68.92 -45.84 69.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.56 -48.45 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -58.24 -57.07 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.575 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 64.7 t -39.66 -34.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -79.05 -50.5 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -43.54 -32.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 4.1 m -71.72 -66.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.418 ' CB ' HD21 ' A' ' 14' ' ' LEU . 18.5 mt -47.21 -47.53 24.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -35.03 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.59 -46.67 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.474 HD12 ' CD2' ' A' ' 88' ' ' TYR . 13.9 tp -46.16 -58.72 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -56.57 -59.73 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.98 -41.45 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.98 -46.92 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -70.18 -31.07 68.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.79 -42.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.418 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 4.6 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.83 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -87.78 45.16 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.418 ' NE1' ' HB2' ' A' ' 132' ' ' ASP . 16.3 m0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 108.005 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.38 -64.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 4.3 tt0 -38.75 -56.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.35 -51.39 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -66.87 -54.71 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 mt -41.36 -55.45 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.577 HG11 ' CH2' ' A' ' 39' ' ' TRP . 87.3 t -59.8 -50.98 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -45.24 -26.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.48 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 18.2 t90 -85.35 -68.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.56 HG21 ' CH2' ' A' ' 39' ' ' TRP . 4.0 mt -40.95 -27.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' N ' ' C ' ' A' ' 17' ' ' TRP . 10.1 t -65.81 -56.46 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 21' ' ' GLN . 1.4 m -60.49 -46.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 1.7 mm-40 -55.53 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.6 m -55.0 -52.61 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 112.22 176.88 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.59 3.68 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.69 -45.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 m -70.5 -32.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.85 -139.95 14.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -142.44 162.36 45.23 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 36.2 t80 -48.38 -55.26 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -42.41 -68.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -40.46 -43.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CH2' HG11 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -52.83 -52.22 57.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' GLN . 11.8 mt -106.0 47.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -99.12 -62.94 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -53.92 -49.57 68.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -17.33 31.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 t -47.05 -60.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -54.7 -47.23 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.01 -42.93 63.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.9 m -66.52 -36.14 81.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -62.93 -34.39 77.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.48 -70.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 51' ' ' ASN . 10.9 p -44.12 -48.41 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.411 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.0 m-80 -52.33 -56.18 16.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 p -43.05 -49.44 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.507 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 65.9 mt -54.18 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 60' ' ' PRO . 26.3 m-85 -35.75 143.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 168.7 24.25 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 139.2 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.29 -38.65 3.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -88.45 45.53 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.951 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.41 114.15 51.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 -59.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -112.53 106.09 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.6 t -72.27 117.21 56.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.04 32.16 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.94 -66.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -110.81 157.39 38.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.3 26.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.59 14.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.67 -48.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.2 mmt -42.46 160.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.462 HG11 ' CE2' ' A' ' 102' ' ' TYR . 76.6 t -73.2 -68.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.88 -47.0 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -63.5 -67.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.6 -52.85 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.569 ' HE3' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -53.66 -55.32 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -43.62 -48.36 7.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.22 -51.62 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.15 -42.62 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.1 -46.1 79.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 85' ' ' ALA . 9.2 t80 -72.11 -43.03 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 34.8 mt -52.17 -62.96 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -53.99 -38.46 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.44 96.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -57.21 -49.6 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -47.59 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.08 -41.06 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.521 ' CD2' HD12 ' A' ' 117' ' ' LEU . 2.9 t80 -53.61 -52.48 59.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.09 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 120' ' ' LEU . 76.8 t -104.33 131.02 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.419 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 27.5 pt -56.97 -171.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -3.74 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.419 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 79.2 p -102.55 1.12 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -112.04 -13.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.47 139.53 32.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 26.4 p90 -106.82 174.1 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.2 mt-30 -92.64 136.81 32.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -38.85 -37.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.9 p -68.4 -52.42 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.466 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 94.5 m-20 -39.41 -30.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 99' ' ' VAL . 21.9 tp -100.59 -64.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 25.5 t80 -44.58 -53.1 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.448 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 10.9 mm-40 -97.65 20.12 12.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.81 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.4 mtpt -59.7 -31.68 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.74 111.39 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.29 -52.99 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.58 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -64.69 -56.13 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.565 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 48.9 t -40.07 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 96.3 mt-30 -80.48 -52.82 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -34.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 m -70.48 -66.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.4 mt -48.68 -47.55 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -37.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.24 -56.34 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.521 HD12 ' CD2' ' A' ' 88' ' ' TYR . 15.0 tp -41.65 -55.83 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -53.29 -66.09 2.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -45.42 -44.62 12.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 3.8 mt -55.74 -50.64 69.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.62 -50.91 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 14.5 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.35 7.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -82.31 52.43 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.415 ' NE1' ' HB2' ' A' ' 132' ' ' ASP . 19.4 m0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.989 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.26 -59.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.25 -62.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.81 -50.48 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.55 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -42.56 -56.91 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.569 HG11 ' CZ3' ' A' ' 39' ' ' TRP . 96.9 t -57.83 -54.57 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -44.36 -29.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.2 t90 -81.24 -53.46 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.04 -19.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLY . 71.5 t -77.03 -51.26 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -68.05 -40.78 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.544 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.8 mm-40 -60.74 -69.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.87 -53.81 44.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.96 175.11 17.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.22 4.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.41 -46.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -70.74 -31.7 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.27 -142.96 16.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -125.04 172.28 6.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HA ' ' CG ' ' A' ' 39' ' ' TRP . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 40' ' ' LEU . 42.4 t80 -37.88 -56.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.757 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.8 tm0? -46.62 -48.14 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.13 -45.92 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CZ3' HG11 ' A' ' 15' ' ' VAL . 10.5 t90 -48.82 -36.98 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 36' ' ' PHE . 13.7 mt -112.42 49.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -107.61 -57.03 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -41.27 -55.81 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.99 -37.48 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG2' ' HD3' ' A' ' 68' ' ' PRO . 77.6 t -43.12 -50.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.796 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.4 mt -57.49 -58.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.9 mt -50.68 -50.71 54.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -57.23 -37.16 71.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -64.29 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' ' CB ' ' A' ' 21' ' ' GLN . 24.2 tp -57.48 -73.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -43.91 -47.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -53.96 -54.99 31.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -45.52 -41.86 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.937 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' TYR . 84.2 mt -60.62 -85.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 58.9 m-85 -36.34 153.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.26 39.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 3.9 pt-20 -57.17 -37.18 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.19 37.69 3.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -174.31 44.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.4 mptm? -75.32 113.88 30.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.576 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.02 -69.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -81.78 163.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -125.07 99.77 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -98.51 114.32 65.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.87 -57.52 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -84.83 145.76 44.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 147.77 34.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HD3' ' CG2' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 139.15 23.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.91 -51.08 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.53 132.67 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.6 t -54.01 -61.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -39.11 -54.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.07 -65.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -39.77 -61.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.5 mtp -44.57 -45.23 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -50.54 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -38.95 -45.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' PHE . 89.2 t -69.18 -56.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.53 -45.19 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -53.23 -45.51 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.5 t80 -71.08 -45.76 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.62 ' CD2' ' CE1' ' A' ' 96' ' ' PHE . 26.7 mt -47.56 -59.15 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -57.55 -40.08 78.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.36 84.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -65.63 -49.64 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.14 -45.3 61.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -45.37 78.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.541 ' CD2' HD11 ' A' ' 117' ' ' LEU . 5.8 t80 -42.53 -30.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.83 36.08 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.0 t -91.87 157.54 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.2 pt -76.04 -175.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.79 -5.79 17.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 p -99.63 1.2 43.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.405 ' O ' ' OG1' ' A' ' 113' ' ' THR . 6.2 m-20 -109.23 -21.4 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.99 142.75 58.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.62 ' CE1' ' CD2' ' A' ' 82' ' ' LEU . 38.3 p90 -116.17 174.52 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.45 141.82 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 m -47.33 -35.75 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -69.17 -45.71 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.421 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 70.3 m-20 -44.37 -27.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 35.9 tp -104.66 -61.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -47.08 -53.38 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLY . 2.8 mm-40 -99.17 18.37 17.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.23 42.79 0.89 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -71.52 -31.29 66.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -153.13 90.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 107' ' ' MET . 0.7 OUTLIER -74.04 -45.39 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 107' ' ' MET . . . -47.44 -37.76 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -67.79 -52.9 31.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 51.6 t -39.4 -37.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' ARG . 45.1 mt-30 -69.51 -51.59 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' ALA . 1.7 ttm180 -38.29 -34.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 1.3 m -75.38 -56.73 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.4 mt -52.22 -50.69 61.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -40.8 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.69 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 88' ' ' TYR . 20.4 tp -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.39 -65.37 3.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -48.94 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.466 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 1.5 mt -53.72 -48.42 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.32 -22.2 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.3 t -78.65 -58.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -34.45 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -51.17 -22.72 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 22.8 m0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -85.61 -48.83 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 5.1 tt0 -57.15 -45.91 83.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 1.6 mm-40 -38.6 -50.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -56.66 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' HG ' ' CB ' ' A' ' 114' ' ' LEU . 1.7 mp -40.84 -54.25 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.566 HG11 ' CH2' ' A' ' 39' ' ' TRP . 22.0 t -66.39 -62.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -41.02 -34.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.5 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 19.8 t90 -74.43 -61.39 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 mt -45.77 -27.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 47.9 t -68.51 -53.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.79 -36.38 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HG2' ' NE1' ' A' ' 17' ' ' TRP . 3.2 mm-40 -65.22 -68.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.8 -51.57 54.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 118.5 175.45 16.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.1 3.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -126.07 -51.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.9 m -64.3 -30.92 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.59 -149.35 21.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -130.65 170.68 10.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CE1' HD11 ' A' ' 40' ' ' LEU . 55.2 t80 -46.77 -50.32 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -48.56 -44.74 36.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.82 -35.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CE3' HD22 ' A' ' 40' ' ' LEU . 7.3 t90 -54.8 -44.7 74.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.569 HD22 ' CE3' ' A' ' 39' ' ' TRP . 13.0 mt -107.68 43.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -103.2 -53.4 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.417 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 0.8 OUTLIER -47.0 -55.23 8.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.05 -30.65 8.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -47.79 -45.4 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -54.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 81' ' ' PHE . 20.6 mt -50.2 -50.36 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.7 m -61.34 -34.82 75.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.05 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 52' ' ' SER . 18.8 mttm -67.42 -35.93 80.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.21 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p -41.82 -49.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -46.22 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -41.64 -52.34 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.03 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -51.25 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 42.5 m-85 -45.81 136.32 6.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.1 Cg_endo -75.03 -176.17 2.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.02 136.04 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.97 -12.43 57.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' LYS . 6.8 t -98.71 -27.51 13.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -37.72 108.21 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.496 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.6 t -80.8 162.2 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -131.86 97.08 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 t -64.33 112.28 7.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.72 34.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.12 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -87.6 129.12 52.11 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.77 37.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.08 -45.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -61.82 138.86 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.568 ' HA ' ' CE2' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -43.2 -70.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.85 -20.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.3 mmtp -82.72 -70.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' MET . 69.4 mt-30 -50.68 -42.99 57.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.476 ' CB ' HG21 ' A' ' 98' ' ' THR . 0.1 OUTLIER -48.58 -44.37 36.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.71 -42.51 88.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.73 -39.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.32 -49.1 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -51.25 -46.7 62.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.547 ' CE2' HD21 ' A' ' 46' ' ' LEU . 2.3 t80 -69.46 -43.4 73.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' O ' ' CE ' ' A' ' 95' ' ' MET . 34.9 mt -50.81 -54.77 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -59.62 -39.5 84.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.58 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -57.37 -46.13 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.35 -53.81 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.56 ' CD2' HD13 ' A' ' 117' ' ' LEU . 3.0 t80 -52.71 -50.48 63.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.71 44.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.047 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.4 t -104.86 132.25 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 10.1 pt -56.11 -176.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.44 -1.45 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.8 p -103.99 -1.29 27.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.458 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -107.73 -18.04 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 59.3 mmm -80.52 139.14 36.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 54.2 p90 -103.02 176.72 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.2 mt-30 -96.87 135.33 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.476 HG21 ' CB ' ' A' ' 75' ' ' MET . 26.0 m -36.92 -44.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.8 p -60.95 -52.57 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.469 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 73.3 m-20 -41.12 -29.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 16.7 tp -96.68 -63.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 6.6 t80 -46.96 -54.25 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.466 ' CG ' HG22 ' A' ' 99' ' ' VAL . 32.5 mm-40 -83.14 -17.57 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.95 27.92 73.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -59.29 -68.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.76 100.21 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.427 ' HE2' ' CB ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -78.22 -46.2 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.32 -37.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.453 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -67.92 -55.89 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . 78.0 t -40.58 -29.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 109' ' ' ALA . 77.6 mt-30 -84.3 -52.67 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -34.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.7 m -67.72 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.414 ' CB ' ' HG ' ' A' ' 14' ' ' LEU . 17.0 mt -51.91 -45.45 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -37.07 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.81 -48.94 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 88' ' ' TYR . 13.6 tp -45.82 -62.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.5 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.65 -61.01 6.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.51 -44.07 17.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.27 -49.55 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.56 72.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.88 -46.75 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.9 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -81.74 53.17 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' A' ' 132' ' ' ASP . 10.8 m0 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -47.56 -53.56 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' OE2' ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -66.04 -60.76 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 2.5 mt-10 -38.46 -48.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -53.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.1 mt -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.538 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 61.1 t -59.93 -53.91 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -46.31 -29.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.573 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 5.9 t90 -78.72 -65.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.435 ' CG1' HD11 ' A' ' 49' ' ' LEU . 4.6 mt -45.18 -25.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLY . 25.6 t -69.23 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 17' ' ' TRP . 1.0 OUTLIER -67.59 -39.93 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.573 ' NE2' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -60.3 -71.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 77.1 m -62.63 -48.45 79.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.26 179.25 20.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.9 3.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.77 -45.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.76 -24.57 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.25 -140.33 17.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.147 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -148.34 165.26 18.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.457 ' CD2' ' OE2' ' A' ' 11' ' ' GLU . 41.4 t80 -52.86 -51.06 62.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' CG ' ' HE1' ' A' ' 107' ' ' MET . 1.2 tt0 -47.4 -58.67 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.41 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 84.8 t -54.4 -43.05 61.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.538 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -49.91 -42.62 48.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 55.4 mt -109.57 44.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 23.1 tttt -107.95 -58.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.1 -58.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.58 -38.77 2.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.29 -55.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mt -51.25 -61.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 81' ' ' PHE . 29.1 mt -44.53 -52.04 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.8 m -57.47 -40.35 78.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -65.2 -34.78 79.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD11 ' CG1' ' A' ' 18' ' ' ILE . 27.9 tp -57.16 -74.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.91 -48.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -54.57 -55.22 31.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 p -46.96 -52.01 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD23 ' CG ' ' A' ' 21' ' ' GLN . 32.9 mt -53.66 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 10.7 m-85 -34.94 149.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 176.03 10.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.83 141.19 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -41.08 3.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.3 m -85.36 47.71 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -85.85 113.6 52.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.0 -61.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -91.41 148.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 100.44 9.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.6 116.09 66.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.72 43.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.571 1.827 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.89 -58.16 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -77.51 133.6 67.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.72 37.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.06 -58.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.4 mtt -46.14 148.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.8 t -58.52 -64.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -43.71 -42.28 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -63.52 -64.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -49.13 -52.74 24.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -50.92 56.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -57.05 -53.1 61.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -38.84 -48.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.62 -55.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.53 -48.8 5.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -50.95 -44.72 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.561 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.469 ' O ' ' CE ' ' A' ' 95' ' ' MET . 48.9 mt -51.37 -60.91 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -54.78 -41.28 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.19 95.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -52.2 -49.51 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 89' ' ' GLY . 0.7 OUTLIER -47.98 -60.85 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -39.73 -50.77 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 117' ' ' LEU . 6.0 t80 -41.84 -40.8 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . 149.22 -19.16 1.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.489 ' CG1' ' OD2' ' A' ' 94' ' ' ASP . 72.4 t -43.72 141.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.515 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 31.3 pt -79.16 -168.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -10.56 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.515 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 33.0 p -93.45 -1.08 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.489 ' OD2' ' CG1' ' A' ' 90' ' ' VAL . 24.0 p-10 -112.43 -19.01 12.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.469 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 32.9 mmm -71.57 143.63 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 17.3 p90 -114.88 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.5 mt-30 -96.39 138.24 34.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' GLN . 53.4 m -38.42 -37.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 6.0 p -66.67 -51.62 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.486 ' HA ' ' CB ' ' A' ' 105' ' ' LYS . 92.5 m-20 -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 19.7 tp -102.9 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 103' ' ' GLU . 23.9 t80 -41.05 -52.81 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 102' ' ' TYR . 40.8 mm-40 -107.61 28.2 8.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.67 33.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -50.17 -26.12 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.01 101.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.454 ' HE1' ' CG ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -73.97 -32.49 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.18 -47.6 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 111' ' ' GLN . . . -69.63 -51.45 34.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.587 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 78.5 t -39.5 -31.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 109' ' ' ALA . 38.5 mt-30 -80.53 -54.35 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.464 ' HD3' ' CB ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.15 -36.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 1.1 m -67.9 -63.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.92 -51.83 64.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.429 ' SD ' ' CD1' ' A' ' 10' ' ' LEU . 59.9 mmm -45.23 -30.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.49 -42.41 16.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 88' ' ' TYR . 14.3 tp -52.99 -60.53 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.17 -65.7 2.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -42.81 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.07 -32.21 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.486 ' CG1' ' CB ' ' A' ' 133' ' ' PRO . 38.9 t -72.61 -46.9 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.486 ' CB ' ' CG1' ' A' ' 122' ' ' VAL . 18.4 Cg_endo -74.97 -33.13 4.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -21.15 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 20.2 m0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.038 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -52.13 62.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -51.33 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -41.07 -48.85 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -62.34 -54.11 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 mt -40.89 -53.84 2.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.34 -53.35 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' HG11 ' A' ' 20' ' ' VAL . 2.3 mm-40 -43.32 -28.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 22.0 t90 -79.91 -64.55 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 mt -42.72 -27.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 42.9 t -69.2 -50.87 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' TRP . 1.0 OUTLIER -66.09 -38.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.491 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 3.9 mm-40 -66.56 -71.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -60.63 -52.64 64.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 116.87 178.51 17.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.97 3.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.31 -51.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.23 -32.58 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.94 -148.43 25.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.31 172.86 3.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CE1' HD13 ' A' ' 40' ' ' LEU . 30.3 t80 -47.29 -60.76 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tm0? -37.86 -58.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.01 -50.16 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -46.12 -38.24 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 107.993 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 68.7 mt -113.02 52.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -111.22 -58.97 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -40.05 -52.99 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.66 -28.62 11.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.05 -57.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.8 mt -53.13 -51.21 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.418 ' CD1' HD22 ' A' ' 101' ' ' LEU . 33.3 mt -55.3 -45.31 76.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.44 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 26.0 p -61.9 -35.14 77.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -66.12 -49.12 68.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.491 ' CD1' ' CB ' ' A' ' 21' ' ' GLN . 18.3 tp -51.98 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -40.95 -50.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -51.6 -54.15 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 p -43.2 -49.94 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' A' ' 88' ' ' TYR . 76.3 mt -56.55 -66.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 21.7 m-85 -47.0 151.08 1.19 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -169.11 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.77 -34.16 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.46 40.7 3.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.56 -71.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 40.0 84.01 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -54.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 49.0 t -94.23 162.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 132.54 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -112.79 109.07 53.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 179.78 5.74 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.42 -56.35 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -111.91 152.53 44.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.04 26.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 p -131.15 -45.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.82 160.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.0 -64.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -38.29 -51.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -68.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -41.23 -56.91 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 mtp -53.41 -52.74 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -53.62 30.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -40.15 -58.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.37 -57.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.71 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -49.44 -48.99 47.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -44.96 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.3 mt -49.07 -62.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -45.7 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.95 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -46.25 -51.9 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -56.22 21.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -41.8 -43.86 3.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 120' ' ' LEU . 2.7 t80 -51.21 -52.42 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.84 42.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 120' ' ' LEU . 55.1 t -103.42 137.63 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.42 ' CG1' ' OD2' ' A' ' 94' ' ' ASP . 6.5 pt -69.56 167.77 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -86.09 -1.01 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.61 -9.72 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' ' CG1' ' A' ' 91' ' ' ILE . 37.2 m-20 -102.19 -20.41 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 35.2 mmm -74.79 155.08 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 24.4 p90 -126.63 175.45 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.8 mt-30 -91.2 132.08 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -38.59 -37.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.462 HG22 ' CG ' ' A' ' 103' ' ' GLU . 9.8 p -69.2 -51.85 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.457 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 85.1 m-20 -39.85 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.508 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 23.1 tp -99.51 -64.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.29 -48.53 6.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.462 ' CG ' HG22 ' A' ' 99' ' ' VAL . 27.8 mm-40 -87.6 -33.76 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.76 18.46 47.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -52.77 -58.65 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -120.62 97.87 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 107' ' ' MET . 1.1 tpp -79.26 -42.02 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.51 -37.33 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -68.57 -52.54 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.581 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 84.3 t -39.43 -33.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -75.06 -52.21 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -40.7 -34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 5.2 m -67.99 -69.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.02 -47.81 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.56 -40.16 3.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.1 -46.99 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 88' ' ' TYR . 12.5 tp -51.53 -55.94 16.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.561 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -45.72 -69.77 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -45.74 -43.32 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.744 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 2.1 mt -55.97 -44.93 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.37 70.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.33 -38.23 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.442 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -44.96 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -49.17 -34.86 15.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 36.5 m0 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 115' ' ' MET . 0.4 OUTLIER -41.53 -70.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.94 -54.34 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.63 -51.27 12.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -58.13 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -40.42 -54.89 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' CD ' ' A' ' 29' ' ' PRO . 69.4 t -67.01 -63.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' VAL . 1.8 mt-10 -38.45 -33.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.488 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 24.4 t90 -76.93 -67.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.061 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.9 mt -41.4 -28.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 17' ' ' TRP . 29.4 t -65.98 -53.84 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG21 ' N ' ' A' ' 21' ' ' GLN . 1.2 m -66.46 -35.9 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' N ' HG21 ' A' ' 20' ' ' VAL . 3.1 mm-40 -68.8 -65.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.96 -53.51 54.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 114.06 173.83 18.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 54.41 3.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.99 -45.64 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.3 -27.9 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.44 -150.44 20.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -137.53 157.78 73.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.475 ' CD ' HG12 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CE1' HD12 ' A' ' 40' ' ' LEU . 26.9 t80 -40.08 -57.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -43.27 -58.67 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.8 -47.27 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CE3' HD21 ' A' ' 40' ' ' LEU . 4.8 t90 -44.67 -39.92 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 20.7 mt -112.87 50.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASN . 69.8 tttt -108.02 -66.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' CG ' ' OE1' ' A' ' 74' ' ' GLN . 1.9 m120 -39.85 -56.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 112.21 -19.5 22.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.457 HG13 ' CG2' ' A' ' 63' ' ' VAL . 53.8 t -51.83 -51.98 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.84 -56.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 81' ' ' PHE . 19.7 mt -47.05 -49.51 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -58.77 -36.79 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -66.22 -30.47 70.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.99 -72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 p -46.7 -40.82 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -56.94 -58.77 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -52.45 -40.09 61.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.044 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' TYR . 76.2 mt -55.51 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 14.6 m-85 -36.07 151.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.44 39.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -47.99 155.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.62 -45.62 3.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' LYS . 18.6 t -57.92 -68.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 40.03 85.18 0.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -53.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.4 t -90.78 155.63 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -120.39 98.33 6.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.457 ' CG2' HG13 ' A' ' 44' ' ' VAL . 6.7 p -99.48 113.85 65.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.59 23.32 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.9 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -76.94 132.22 71.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.58 23.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.69 -152.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 74' ' ' GLN . 9.8 mtt 54.83 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.0 t -82.35 -65.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -42.16 -45.5 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -68.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' MET . 11.3 mm-40 -42.29 -54.95 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.9 mmm -46.61 -49.05 19.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.52 -50.51 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -40.8 -60.93 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.406 HG22 ' CA ' ' A' ' 43' ' ' GLY . 98.3 t -61.14 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.46 -46.58 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -53.03 -45.56 68.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 3.7 t80 -70.68 -44.58 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' ALA . 26.5 mt -49.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -44.54 -40.77 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.63 99.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -49.71 -52.65 29.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -48.68 61.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -48.23 -42.4 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.551 ' CD2' HD11 ' A' ' 117' ' ' LEU . 2.6 t80 -54.17 -48.68 70.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.3 44.48 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 91' ' ' ILE . 40.5 t -104.1 129.42 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.444 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 9.3 pt -53.39 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 17.3 tttt -103.49 -16.22 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.6 p -89.98 -1.88 58.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 1.2 m-20 -104.52 -23.32 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 44.2 mmm -74.95 137.77 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 51.8 p90 -111.08 -179.13 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' THR . 1.7 mt-30 -96.1 135.63 37.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . 42.2 m -37.68 -48.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.5 p -56.91 -52.82 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.476 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 m-20 -39.14 -31.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 18.9 tp -99.36 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.45 ' CE1' ' HB3' ' A' ' 74' ' ' GLN . 3.8 t80 -45.57 -58.17 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' GLY . 46.4 mm-40 -93.75 17.78 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 36.27 41.14 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.42 -33.3 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 100.45 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.38 -39.17 21.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.81 -32.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -82.22 -49.83 9.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . 75.4 t -41.78 -29.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 109' ' ' ALA . 91.2 mt-30 -78.1 -51.65 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -32.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 1.4 m -70.23 -55.9 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.4 mt -58.84 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.439 ' HG2' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -43.45 -27.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.58 -43.27 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 88' ' ' TYR . 12.2 tp -55.14 -58.52 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.488 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.8 -63.46 4.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -47.85 -38.18 15.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.496 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 2.8 mt -59.21 -43.3 92.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 133' ' ' PRO . 46.1 t -65.86 -46.93 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.56 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 33.8 m-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.466 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.05 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.41 54.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.56 ' CD1' ' HB2' ' A' ' 132' ' ' ASP . 10.9 m0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.029 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.29 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.62 -56.74 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -54.42 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 114' ' ' LEU . 66.1 mt -41.85 -57.07 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG13 ' CD ' ' A' ' 29' ' ' PRO . 88.2 t -59.21 -51.1 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.66 -25.56 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.552 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.3 t90 -82.36 -57.91 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -49.16 -23.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLY . 34.8 t -72.29 -54.31 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.95 -39.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.552 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -59.99 -71.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 m -63.49 -54.23 39.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.96 174.76 16.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.428 1.08 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 54.62 3.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.54 -44.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.32 -29.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.63 -151.2 20.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -132.17 160.48 67.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' CD ' HG13 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.215 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -39.08 -54.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.749 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 102' ' ' TYR . 1.7 tm0? -50.69 -49.31 57.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.56 -49.04 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.467 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 13.6 t90 -49.45 -30.17 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 107.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 28.9 mt -114.55 37.12 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -104.55 -53.07 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -45.43 -54.07 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.86 -25.52 26.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.7 t -49.74 -50.31 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.62 -47.41 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.17 -46.43 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.4 m -61.21 -40.29 93.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -63.93 -38.85 92.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.45 -73.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.37 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -42.97 -47.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 p -43.86 -45.87 7.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' TYR . 93.1 mt -59.09 -85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 44.3 m-85 -36.27 153.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.44 -59.26 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.27 52.82 3.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -175.79 37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.31 114.15 42.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -61.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 62' ' ' LYS . 61.2 t -88.63 161.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' HG13 ' A' ' 61' ' ' VAL . 2.0 mppt? -126.2 101.47 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 p -89.23 114.73 61.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.28 -49.87 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -81.93 125.99 76.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.4 24.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -165.66 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.58 -65.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.5 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -38.58 122.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 102' ' ' TYR . 1.2 p -42.23 -69.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -47.3 -23.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.1 mmtt -85.58 -57.26 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' MET . 30.2 mt-30 -56.53 -45.36 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.517 ' CE ' ' CG ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -43.95 -43.31 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 110.977 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.59 -45.9 81.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -53.53 -57.59 10.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.5 t -58.21 -48.92 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.46 -51.44 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -50.22 -43.22 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' ALA . 1.7 t80 -72.78 -43.51 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.421 ' O ' ' CE ' ' A' ' 95' ' ' MET . 41.0 mt -52.29 -63.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.05 70.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.95 92.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.2 -34.04 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -59.12 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.47 -45.51 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CD2' HD11 ' A' ' 117' ' ' LEU . 4.7 t80 -45.33 -39.68 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.439 ' CA ' HD12 ' A' ' 120' ' ' LEU . . . 147.53 -18.1 1.48 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 91' ' ' ILE . 72.1 t -44.46 144.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 34.9 pt -87.07 -169.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.11 1.5 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.503 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 1.5 p -105.27 -3.11 23.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 91' ' ' ILE . 12.9 p30 -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 29.2 mmm -71.0 153.68 42.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 7.2 p90 -120.02 177.93 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.6 mt-30 -100.26 137.34 38.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.9 m -43.37 -33.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 1.2 m -72.27 -44.06 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 83.8 m-20 -49.52 -23.59 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 14.2 tp -105.73 -60.02 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 71' ' ' VAL . 30.7 t80 -55.01 -58.05 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.06 -1.54 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 51.28 41.53 47.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -70.96 -39.12 72.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -141.79 119.47 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -94.27 -38.78 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.92 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -60.19 -56.38 22.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.546 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 68.0 t -40.42 -37.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -72.12 -50.11 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.41 -30.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' ALA . 96.2 m -69.67 -69.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.425 ' CB ' HD21 ' A' ' 14' ' ' LEU . 29.4 mt -43.17 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -35.48 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' THR . . . -76.91 -55.06 5.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 88' ' ' TYR . 16.9 tp -45.72 -64.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -46.24 -60.12 4.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -52.29 -42.89 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.4 mt -62.03 -40.43 95.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.32 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.78 -47.75 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.462 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 4.3 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.65 12.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -88.26 44.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.462 ' CD1' ' HB2' ' A' ' 132' ' ' ASP . 14.6 m0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.055 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' ' HE2' ' A' ' 115' ' ' MET . 0.1 OUTLIER -55.1 -47.77 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 1.9 tt0 -44.74 -51.4 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -40.12 -44.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -51.51 63.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.4 mt -43.22 -56.56 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.48 HG13 ' CD ' ' A' ' 28' ' ' ARG . 43.8 t -58.65 -48.91 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -47.79 -25.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.471 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.0 t90 -85.05 -61.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG22 ' CH2' ' A' ' 39' ' ' TRP . 4.2 mt -48.46 -23.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 23' ' ' GLY . 41.4 t -69.1 -54.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -66.89 -38.2 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -62.62 -70.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -64.85 -53.41 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.246 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.99 179.36 17.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.03 3.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -125.63 -44.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 m -70.72 -32.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 -143.8 16.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.582 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -139.57 141.27 27.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.582 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -38.07 -55.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -42.29 -59.48 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.417 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.1 t -58.11 -45.84 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.57 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 4.7 t90 -47.24 -37.18 10.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 30.4 mt -114.17 44.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 61.9 tttt -109.17 -54.19 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -44.56 -48.51 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.93 -31.55 8.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -49.16 -49.16 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.48 -52.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.99 -52.44 65.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.0 m -55.34 -39.53 70.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -60.93 -40.04 91.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' SER . 14.5 tp -58.39 -73.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.0 p -39.86 -48.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.411 ' N ' HG13 ' A' ' 50' ' ' VAL . 15.1 m-80 -57.84 -47.99 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 p -48.14 -47.0 35.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' TYR . 86.7 mt -57.08 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 52.0 m-85 -36.54 155.07 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.0 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.78 -58.77 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.42 53.15 3.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -176.36 41.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -80.38 113.96 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.98 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.33 160.72 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -113.76 130.67 56.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -110.44 110.28 57.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -75.06 0.67 8.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 64' ' ' PRO . 5.3 tt0 83.63 -56.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -89.77 132.39 36.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.92 30.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.1 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 t -128.56 -46.47 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -51.54 169.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.6 t -85.87 -58.05 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -41.97 -44.45 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -62.7 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -40.03 -58.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.555 ' HE2' ' CD2' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -50.4 -47.78 56.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.44 -49.31 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.39 -63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.92 -48.98 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.19 55.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -53.37 -44.13 68.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -73.38 -43.13 61.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.47 ' O ' ' CE ' ' A' ' 95' ' ' MET . 45.1 mt -51.56 -59.71 3.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -54.83 -39.52 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.17 -37.28 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.64 -46.28 83.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.87 -40.45 56.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.516 ' CD2' HD13 ' A' ' 117' ' ' LEU . 2.7 t80 -53.41 -54.35 38.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.92 43.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 91' ' ' ILE . 69.1 t -106.12 137.48 36.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.402 ' N ' HG12 ' A' ' 90' ' ' VAL . 6.4 pt -73.14 167.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 2.98 43.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.63 -15.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 113' ' ' THR . 0.6 OUTLIER -100.71 -18.11 16.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 52.6 mmm -78.92 150.05 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 34.4 p90 -117.58 -172.38 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.042 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.7 mt-30 -103.45 134.47 46.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.5 m -38.14 -37.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 8.4 p -65.81 -52.33 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.476 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 62.3 m-20 -40.46 -29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 13.1 tp -99.77 -63.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CD2' ' HE2' ' A' ' 75' ' ' MET . 35.7 t80 -43.9 -50.64 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -90.1 -18.0 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.32 25.13 76.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.9 -56.44 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -121.02 107.16 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.415 ' HE2' ' CB ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -81.77 -47.05 13.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.96 -31.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.11 -53.86 8.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.576 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 92.4 t -42.98 -37.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -78.95 -46.78 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -28.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 2.6 m -74.97 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.95 -49.57 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.452 ' HE2' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.84 -33.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.99 -50.79 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 88' ' ' TYR . 21.0 tp -45.7 -60.69 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -49.58 -67.66 1.69 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.59 -40.63 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.4 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 4.3 mt -59.79 -46.39 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -68.12 -29.66 68.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.421 HG12 ' CB ' ' A' ' 133' ' ' PRO . 64.1 t -68.72 -42.7 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.421 ' CB ' HG12 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.97 -22.49 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -86.07 48.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 24.1 m0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 107.992 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.343 -0.244 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.65 -64.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.35 -53.59 1.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.1 -59.49 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.36 -51.96 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 mt -41.47 -55.98 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.44 -53.24 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -45.54 -26.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.499 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 23.6 t90 -83.02 -56.87 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.527 HG21 ' CH2' ' A' ' 39' ' ' TRP . 13.5 mt -49.41 -24.4 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' GLY . 27.0 t -71.37 -54.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.91 -38.33 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.499 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 9.1 mm-40 -62.99 -69.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -65.29 -54.39 29.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 108.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.22 176.07 18.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.07 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.33 -46.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.42 -30.23 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.53 -142.29 16.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -135.78 170.39 11.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -43.13 77.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.95 -37.45 74.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.4 t -81.81 -30.19 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.527 ' CH2' HG21 ' A' ' 18' ' ' ILE . 5.9 t90 -62.45 -37.89 87.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 30.0 mt -108.4 33.39 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -95.38 -57.98 2.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -42.34 -50.04 5.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.13 -26.75 23.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 67' ' ' PRO . 53.3 t -48.79 -46.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 mt -63.94 -42.52 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.84 -45.21 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.7 p -65.18 -39.22 92.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -64.25 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 21' ' ' GLN . 35.1 tp -54.22 -73.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -45.62 -37.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -56.54 20.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -46.17 16.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.6 mt -53.72 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 17.1 m-85 -35.59 150.44 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 158.73 42.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.35 152.82 6.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.83 -44.67 3.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -55.71 -75.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 42.85 90.69 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.5 Cg_endo -74.96 -46.76 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.65 164.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.07 115.87 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.5 t -99.38 109.14 53.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 154.1 42.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.42 -62.09 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -100.85 139.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.03 148.39 35.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -155.67 -51.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.508 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 3.0 mtt -45.88 137.52 5.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.58 ' HA ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 p -45.6 -69.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -51.89 -20.48 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 5.1 mmtp -82.7 -68.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -53.56 -44.08 68.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.461 ' CE ' HG12 ' A' ' 99' ' ' VAL . 15.1 mtp -48.94 -43.88 40.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -46.12 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -46.54 -47.04 19.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.77 -43.84 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.97 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -54.4 -44.36 72.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -72.98 -42.07 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 96' ' ' PHE . 42.1 mt -53.2 -56.14 18.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -59.57 -40.29 86.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.91 99.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.39 80.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -58.92 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -44.75 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.55 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.1 t80 -44.95 -38.79 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.68 -17.12 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' A' ' 120' ' ' LEU . 99.4 t -46.98 153.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.796 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.5 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 18.5 pt -99.31 -171.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.8 7.42 39.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.5 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 2.2 p -108.1 -9.08 15.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' A' ' 113' ' ' THR . 9.0 p30 -112.25 -10.5 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 59.5 mmm -82.42 162.63 22.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 9.6 p90 -127.03 -177.51 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.7 mt-30 -103.21 134.2 47.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -41.89 -35.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.461 HG12 ' CE ' ' A' ' 75' ' ' MET . 2.7 m -68.12 -47.41 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.445 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 69.0 m-20 -48.86 -25.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 12.2 tp -101.18 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 5.0 t80 -51.52 -56.05 15.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.64 -5.55 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.46 44.53 85.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -68.96 -72.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.51 111.92 21.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.0 mmm -83.26 -28.43 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.83 -42.75 80.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -70.81 -52.68 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.574 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 53.8 t -41.83 -30.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 109' ' ' ALA . 72.6 mt-30 -81.45 -51.5 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.65 -31.77 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 8.5 m -68.22 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.8 mt -42.66 -50.05 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -41.47 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.35 -59.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 88' ' ' TYR . 18.9 tp -40.16 -55.99 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.65 -67.16 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -48.01 -41.52 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 0.799 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 90' ' ' VAL . 2.3 mt -58.44 -32.24 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.35 -30.66 30.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.07 -50.37 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.521 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 13.6 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -32.36 5.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -83.21 51.87 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 132' ' ' ASP . 15.5 m0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.61 -66.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -38.66 -56.8 1.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.0 -48.55 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -67.21 -57.64 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' CB ' ' A' ' 114' ' ' LEU . 61.1 mt -40.06 -56.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG13 ' CD ' ' A' ' 28' ' ' ARG . 38.9 t -58.07 -50.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.46 -25.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.55 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 20.7 t90 -86.59 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.518 HG21 ' CH2' ' A' ' 39' ' ' TRP . 5.6 mt -46.98 -24.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' GLY . 43.1 t -69.72 -54.07 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.52 -38.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.55 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 5.4 mm-40 -59.03 -70.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -66.73 -53.04 37.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.71 179.6 16.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.47 3.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.13 -44.84 2.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.0 m -69.68 -33.09 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 -144.92 17.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -140.72 141.55 25.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.566 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CE1' HD11 ' A' ' 40' ' ' LEU . 37.4 t80 -39.56 -52.52 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' CB ' ' HE2' ' A' ' 107' ' ' MET . 1.3 tm0? -45.64 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.6 t -55.85 -44.9 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.524 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 6.4 t90 -44.57 -42.07 7.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD11 ' CE1' ' A' ' 36' ' ' PHE . 29.6 mt -111.37 47.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 18.9 tttt -110.35 -56.31 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -43.42 -51.09 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.23 -27.59 17.85 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -50.44 -40.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -68.94 -56.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 33.1 mt -50.58 -44.7 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 m -63.4 -35.39 80.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -67.73 -41.43 83.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.35 -73.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -41.55 -48.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -48.39 -60.45 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.92 -52.55 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' TYR . 43.8 mt -53.02 -79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 29.9 m-85 -36.53 152.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.65 -34.24 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 41.25 3.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.56 -72.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.41 88.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.94 -59.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.97 165.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.05 102.45 6.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -100.5 115.74 65.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -101.82 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.94 36.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.4 Cg_endo -75.01 -57.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER 84.73 -48.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 126.61 28.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.0 t -41.87 -67.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -43.07 -47.96 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -61.83 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -43.23 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.61 -43.87 36.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' GLN . 34.3 mt-10 -63.61 -52.6 60.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' GLU . 2.1 tp60 -39.01 -48.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.99 -52.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -41.63 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 4.7 t80 -68.6 -43.43 76.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.475 ' O ' ' CE ' ' A' ' 95' ' ' MET . 36.5 mt -51.03 -71.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -44.66 -40.46 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.82 99.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -53.85 -38.94 65.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -47.66 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -48.71 -44.48 38.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.511 ' CD2' HD12 ' A' ' 117' ' ' LEU . 3.3 t80 -50.5 -55.21 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 150.57 42.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 79.4 t -106.13 136.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.4 pt -70.51 169.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -86.53 2.67 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.74 -11.57 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.76 -21.41 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 40.2 mmm -77.15 137.54 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 7.9 p90 -105.67 178.81 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.6 mt-30 -93.58 135.92 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.2 m -37.07 -48.2 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.4 p -55.84 -52.49 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.472 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 54.0 m-20 -39.55 -30.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 16.4 tp -101.01 -64.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.563 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 20.7 t80 -42.92 -51.63 5.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' LYS . 5.6 mm-40 -104.77 23.89 12.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.06 31.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -51.43 -37.02 46.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -147.33 109.37 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.462 ' HE2' ' CB ' ' A' ' 37' ' ' GLN . 1.6 mmt -82.42 -32.43 29.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.12 75.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -63.16 -51.28 67.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.586 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 87.3 t -39.25 -30.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 109' ' ' ALA . 65.5 mt-30 -84.1 -53.47 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.85 -34.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -68.32 -69.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' CB ' HD22 ' A' ' 14' ' ' LEU . 19.4 mt -48.52 -47.78 38.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -39.07 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.28 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 88' ' ' TYR . 17.3 tp -42.37 -57.38 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.21 -66.06 2.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -38.89 17.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.82 -43.07 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.96 63.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.03 -48.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -33.17 4.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -31.21 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 32.9 m0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.43 -52.64 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.54 -49.36 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' GLU . 2.9 mm-40 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -54.95 -45.97 74.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 3.3 mp -51.03 -62.07 1.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 28' ' ' ARG . 46.4 t -62.83 -62.25 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' GLU . 1.9 mt-10 -40.17 -34.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.43 ' NE1' ' HG3' ' A' ' 21' ' ' GLN . 19.5 t90 -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 107.99 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.2 mt -50.83 -22.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.489 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 40.8 t -70.13 -51.99 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.36 -38.93 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG3' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -61.69 -69.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -65.92 -49.23 68.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 112.52 -178.2 18.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.58 3.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.92 -47.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 m -67.34 -33.45 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.44 -138.62 14.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -144.82 141.97 18.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 0.734 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.598 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 40' ' ' LEU . 45.2 t80 -41.56 -52.74 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -61.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 96.4 t -57.38 -47.37 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 8.5 t90 -49.05 -37.44 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 ' CE1' ' A' ' 36' ' ' PHE . 56.6 mt -112.53 41.26 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 14.7 tttm -105.24 -55.47 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -40.87 -46.77 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.8 9.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -50.04 -54.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mt -49.84 -50.89 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -57.41 -49.16 77.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.3 m -57.42 -37.35 72.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -68.25 -36.66 79.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.51 -74.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.54 -44.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 3.0 m-80 -51.15 -59.67 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.7 OUTLIER -39.09 -51.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' TYR . 31.0 mt -54.13 -79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 25.7 m-85 -35.97 149.61 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -172.22 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -78.55 -33.98 47.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.94 41.58 3.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.088 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.66 -73.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 41.23 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.95 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.3 t -86.14 166.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.97 102.07 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.6 t -83.73 117.25 68.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -45.68 -64.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -118.15 164.8 18.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.22 37.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -176.96 3.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.69 -48.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mtt -49.97 153.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.76 -60.18 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -47.95 -37.11 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.7 -68.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -45.62 -49.53 14.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.18 -52.61 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.38 -44.91 89.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -44.09 -42.23 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.75 -53.39 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.29 6.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -72.06 -43.26 65.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD22 ' CE1' ' A' ' 96' ' ' PHE . 38.2 mt -53.39 -58.2 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -52.54 -44.23 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.62 -47.2 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -50.38 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -40.53 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.441 ' CD2' HD13 ' A' ' 117' ' ' LEU . 2.9 t80 -52.17 -55.39 21.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 150.18 43.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.7 t -108.46 129.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.9 pt -61.75 174.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -12.34 47.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.62 -12.86 38.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' O ' ' OG1' ' A' ' 113' ' ' THR . 87.6 m-20 -98.42 -21.12 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 35.4 mmm -81.14 147.49 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 11.9 p90 -108.75 -176.91 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mt-30 -96.17 139.4 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 m -47.01 -23.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -87.49 -37.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' GLN . 80.1 m-20 -50.04 -23.02 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -106.75 -63.43 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 28.5 t80 -49.99 -52.57 32.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' LYS . 14.1 mm-40 -90.66 12.6 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.56 30.59 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' GLU . 12.0 mttt -57.12 -45.39 83.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -141.49 107.87 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 38.0 mmm -82.58 -36.71 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.63 11.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -76.71 -53.2 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 95.2 t -41.28 -30.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 109' ' ' ALA . 89.0 mt-30 -81.26 -51.79 8.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -33.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 3.2 m -68.59 -64.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 mt -46.96 -50.77 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.48 -37.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.71 -57.28 3.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 88' ' ' TYR . 20.9 tp -43.46 -49.57 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.58 -69.67 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.0 -36.0 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.0 -51.63 56.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.74 -17.25 55.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.6 t -83.04 -45.87 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.421 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.13 8.51 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -84.31 50.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.421 ' CD1' ' HB2' ' A' ' 132' ' ' ASP . 14.9 m0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.982 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t 61.86 158.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -87.24 127.26 35.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.38 66.18 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 159.82 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -104.1 82.24 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.62 -97.25 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 54.87 172.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -56.4 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.34 -62.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.22 -56.44 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.4 -56.1 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -60.45 -52.15 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD23 ' CE2' ' A' ' 136' ' ' PHE . 20.6 mt -40.66 -54.51 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.557 HG13 ' CH2' ' A' ' 39' ' ' TRP . 74.9 t -60.84 -50.62 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -46.67 -25.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.587 ' CD1' ' CE1' ' A' ' 129' ' ' TYR . 19.3 t90 -84.36 -56.33 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mt -52.7 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 23' ' ' GLY . 37.2 t -73.36 -53.68 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -66.04 -38.88 83.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -63.68 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.01 -54.14 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 113.82 177.13 19.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.07 3.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.86 -45.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.16 -27.11 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.01 -151.54 26.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -136.84 174.14 4.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.74 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 128.43 11.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.82 141.22 55.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 174.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.55 152.35 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.17 -171.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mt -41.98 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.65 -56.7 3.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' TRP . 40.8 t80 -73.98 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -46.29 -42.14 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.245 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.1 t -69.5 -34.98 64.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.6 t90 -59.51 -43.69 93.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 48.1 mt -103.77 42.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 13.0 tttt -104.38 -60.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -42.06 -55.78 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.51 -32.46 6.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.9 t -43.92 -48.37 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.25 -41.92 94.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 ' CE2' ' A' ' 81' ' ' PHE . 26.3 mt -62.33 -51.81 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.3 m -58.19 -33.23 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -68.26 -38.71 82.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.56 -70.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 p -41.24 -49.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -56.37 -51.99 66.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 p -40.62 -38.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' TYR . 9.6 mt -75.16 -72.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 13.2 m-85 -35.13 150.76 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.6 5.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -32.06 53.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.23 38.08 3.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -145.5 -72.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.07 90.44 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.99 -51.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.813 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 62' ' ' LYS . 48.4 t -90.47 168.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 61' ' ' VAL . 25.9 mttt -127.97 107.68 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.5 t -97.33 118.44 64.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 177.32 8.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.98 -58.5 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -101.61 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.22 31.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -174.08 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.11 -46.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mtt -43.28 158.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -72.39 -64.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -40.0 -42.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -67.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.58 -51.49 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.451 ' HE2' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -54.24 -47.91 71.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.21 -49.38 72.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -41.72 -43.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' PHE . 97.1 t -68.94 -54.01 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.0 -45.55 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -52.63 -41.6 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CE2' HD23 ' A' ' 46' ' ' LEU . 2.7 t80 -76.95 -44.47 31.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.532 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 mt -51.95 -57.52 9.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -57.63 -41.05 80.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.77 96.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.48 -56.88 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -43.96 -52.17 7.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.35 -54.46 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.555 ' CD2' HD13 ' A' ' 117' ' ' LEU . 4.9 t80 -40.32 -40.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.82 -17.63 1.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 96.5 t -43.52 151.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.403 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 25.7 pt -96.95 -170.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -102.69 2.03 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.73 -6.57 23.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 91' ' ' ILE . 7.2 p30 -115.92 -7.96 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 68.8 mmm -88.49 140.18 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 16.0 p90 -107.09 -176.14 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mm-40 -101.03 137.54 39.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' GLN . 86.6 m -37.82 -41.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.9 p -65.15 -52.37 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.465 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 88.0 m-20 -39.68 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -99.26 -61.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 11.6 t80 -45.8 -56.48 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 26.2 mt-10 -100.18 23.91 9.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.61 29.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -47.77 -36.8 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -152.07 112.86 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 40.0 mmm -86.21 -32.28 21.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.06 -30.72 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -79.22 -51.18 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.569 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 74.0 t -40.04 -30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 70.3 mt-30 -80.8 -53.99 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -36.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.4 m -66.37 -68.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.454 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.434 ' CB ' HD21 ' A' ' 14' ' ' LEU . 16.0 mt -50.48 -46.53 57.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -34.59 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.87 -53.63 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -44.93 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -40.69 -64.64 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -46.07 -48.33 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.34 -43.23 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.57 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 79.3 t -62.66 -33.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.0 m -70.61 -46.86 62.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -73.45 -77.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 54.12 98.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -153.58 27.82 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.406 ' C ' ' ND2' ' A' ' 128' ' ' ASN . . . 104.54 62.9 0.66 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.406 ' ND2' ' C ' ' A' ' 127' ' ' GLY . 2.9 m-80 -147.88 -48.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.587 ' CE1' ' CD1' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -76.09 119.15 19.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -97.18 39.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.57 ' HA3' ' CH2' ' A' ' 135' ' ' TRP . . . -144.21 -114.36 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.416 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 1.7 m-20 -147.2 145.95 23.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.1 15.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -88.58 45.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.57 ' CH2' ' HA3' ' A' ' 131' ' ' GLY . 18.4 m0 -110.4 -53.92 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.011 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.551 ' CE2' HD23 ' A' ' 14' ' ' LEU . 16.4 m-85 -85.78 -49.08 8.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.3 mtt -44.12 138.52 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.18 -66.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.44 112.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -179.01 -159.36 23.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.13 41.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.2 116.64 26.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.83 160.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.35 -60.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p 44.03 90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.76 171.4 12.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.36 168.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.52 174.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.62 -56.97 0.37 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 59.9 149.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -89.56 -45.52 9.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.88 -46.18 85.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.41 -50.77 66.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -45.22 -47.37 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 136' ' ' PHE . 3.8 mtt180 -58.78 -52.95 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' CD2' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -40.63 -55.16 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.571 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 91.9 t -64.84 -59.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -41.35 -29.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.479 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.5 t90 -77.67 -58.84 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -48.95 -23.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 54.3 t -71.75 -52.75 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.456 HG23 ' CA ' ' A' ' 131' ' ' GLY . 1.1 m -68.54 -37.47 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.479 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.9 mm-40 -62.99 -69.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.3 m -65.59 -53.49 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 115.89 177.34 18.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.69 4.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -127.62 -45.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.46 -27.13 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.5 -140.54 15.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -149.96 164.68 19.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.93 -168.08 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -100.6 179.37 4.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.39 169.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.74 94.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -172.65 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.9 mm? -59.28 -16.53 22.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.82 -55.56 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -42.7 -52.01 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tt0 -48.61 -50.45 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 94.5 t -60.87 -48.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.571 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 6.5 t90 -49.99 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 38.4 mt -115.24 38.51 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 8.3 tttt -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -40.99 -50.35 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.18 43.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.6 t -57.77 -49.78 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.02 -42.01 81.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD21 ' CE2' ' A' ' 81' ' ' PHE . 24.5 mt -56.06 -49.13 74.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -59.63 -40.92 89.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -59.28 -39.37 82.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' SER . 30.0 tp -56.53 -73.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.0 p -42.86 -48.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -57.5 -42.18 82.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.1 p -49.38 -35.82 19.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 88' ' ' TYR . 38.0 mt -71.37 -84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 62.0 m-85 -35.9 149.84 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.34 10.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 10.4 pt-20 -70.67 -23.44 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.4 19.42 27.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -130.2 -71.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 mptm? 41.43 85.73 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -75.03 -44.77 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.0 t -96.6 160.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -120.94 100.4 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 p -108.78 125.73 31.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 6.4 3.42 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 74.91 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -72.08 127.34 90.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.94 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.16 155.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.5 ' CG2' ' OH ' ' A' ' 102' ' ' TYR . 24.9 t -82.58 -58.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -40.91 -45.62 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -63.51 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -41.07 -49.5 3.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -59.85 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.19 -52.95 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -39.13 -49.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -60.68 -58.1 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.17 -49.13 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -53.0 -41.19 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.472 ' CE2' HD21 ' A' ' 46' ' ' LEU . 2.0 t80 -76.76 -45.53 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.4 mt -49.18 -56.43 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.64 -39.33 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.17 99.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.24 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -47.92 83.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.44 -39.22 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.562 ' CE1' HD13 ' A' ' 53' ' ' LEU . 4.2 t80 -53.61 -51.93 61.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.99 43.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.46 148.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.491 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 14.5 pt -76.53 179.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 6.36 44.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.491 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 0.9 OUTLIER -110.56 -0.87 17.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.407 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 91' ' ' ILE . 0.9 OUTLIER -111.02 -18.35 13.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.7 mmm -75.46 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 9.2 p90 -108.31 177.32 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.5 mt-30 -98.95 138.73 35.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -42.76 -34.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -74.27 -43.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' GLN . 94.7 m-20 -48.66 -24.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -107.12 -71.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.5 ' OH ' ' CG2' ' A' ' 71' ' ' VAL . 24.7 t80 -40.17 -51.11 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -88.2 -18.55 28.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.94 34.27 76.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.98 -46.97 85.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -137.48 104.09 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -43.93 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.24 -36.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -72.48 -53.45 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.565 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 86.4 t -40.5 -29.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 109' ' ' ALA . 81.2 mt-30 -82.09 -52.36 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -38.21 -34.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 m -68.73 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.7 mt -47.88 -47.87 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.9 mtt -48.5 -26.43 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.92 -57.99 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 88' ' ' TYR . 17.2 tp -40.54 -49.63 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -61.17 -67.73 1.99 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -39.25 -45.08 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.971 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.1 mt -54.69 -50.1 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -66.11 -23.55 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.571 HG23 ' CE2' ' A' ' 129' ' ' TYR . 40.3 t -79.65 -67.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 52.9 m -41.89 -69.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -46.7 -43.36 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 126' ' ' ASP . 7.7 m-20 50.65 67.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER 159.66 44.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.22 51.54 0.82 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 4.4 m-80 55.4 40.13 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.571 ' CE2' HG23 ' A' ' 122' ' ' VAL . 5.8 t80 -95.18 116.56 28.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 131' ' ' GLY . 11.9 mmt180 -89.55 -66.45 0.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.456 ' CA ' HG23 ' A' ' 20' ' ' VAL . . . -36.88 155.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.86 146.35 98.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.465 ' CA ' HG11 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.94 -35.31 3.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.99 -21.72 8.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.402 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 33.9 m0 -57.33 -43.56 83.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 48.1 m-85 -136.44 77.14 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -76.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.69 155.84 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.96 122.08 40.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.62 153.01 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.55 8.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.7 m 58.16 112.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.13 108.26 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -127.97 142.86 51.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -163.11 168.5 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.83 133.95 7.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 p -158.93 103.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 0.727 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.78 150.82 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.16 -168.41 30.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.99 144.8 25.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -42.51 -51.44 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.475 HD21 ' CG ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -40.32 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.65 -50.18 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.63 -52.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -58.28 5.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 2.7 mp -42.21 -46.73 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.07 -61.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -43.43 -32.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.563 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.7 t90 -75.61 -58.23 3.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 10.7 mt -49.35 -23.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 32.8 t -71.88 -53.15 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -69.12 -40.83 81.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.563 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.8 mm-40 -56.9 -67.73 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.2 -54.42 14.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.77 175.54 15.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -129.2 -46.45 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 45' ' ' ILE . 34.4 m -69.01 -30.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.23 -155.6 28.7 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -119.78 171.8 5.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.328 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -75.02 167.81 26.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.791 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.88 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -50.09 177.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -42.74 -82.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 34' ' ' LEU . 4.9 mtm180 -71.87 158.25 36.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER 42.24 91.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.78 -64.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -51.02 -37.09 43.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.8 tm0? -62.38 -51.22 68.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.18 -40.68 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 20.1 t90 -53.96 -38.71 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 21.1 mt -110.23 43.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -105.28 -58.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -41.29 -54.04 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.41 -32.53 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.7 t -43.11 -42.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.336 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.401 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 10.3 mt -68.27 -48.63 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 29.1 mt -56.4 -46.08 80.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.455 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 35.2 p -62.95 -35.71 81.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -67.18 -35.27 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 21' ' ' GLN . 16.1 tp -58.58 -71.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.72 -42.06 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.21 -59.26 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.38 -46.52 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' A' ' 88' ' ' TYR . 56.6 mt -61.21 -78.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 60' ' ' PRO . 24.8 m-85 -36.17 151.1 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.44 20.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.39 -39.71 95.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.5 44.58 3.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.64 -73.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 42.18 89.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -60.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.752 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 45.2 t -78.44 166.97 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -130.43 104.74 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -115.8 126.76 27.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.04 179.74 5.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.43 -34.78 76.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -112.4 159.45 33.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 139.5 24.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.763 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -169.26 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.63 -157.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.95 166.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.77 -61.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -42.48 -48.62 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -62.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -42.64 -58.06 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.567 ' HE1' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -49.36 -49.33 44.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -50.85 58.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -39.82 -55.02 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 81' ' ' PHE . 55.1 t -60.94 -56.36 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.6 -50.72 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.7 -41.95 44.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -74.38 -45.87 44.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 96' ' ' PHE . 31.9 mt -48.29 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -48.04 -41.99 27.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.46 89.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.75 -29.16 70.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.94 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -49.78 -44.07 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 117' ' ' LEU . 7.4 t80 -45.3 -37.12 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.51 39.42 0.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 120' ' ' LEU . 55.3 t -104.18 137.44 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' CG1' ' CG ' ' A' ' 94' ' ' ASP . 13.1 pt -67.89 -175.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -99.42 -15.96 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 93' ' ' THR . 0.7 OUTLIER -90.97 2.76 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' CG ' ' CG1' ' A' ' 91' ' ' ILE . 83.8 m-20 -110.59 -21.49 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 55.3 mmm -77.28 168.43 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.552 ' CE1' HD23 ' A' ' 82' ' ' LEU . 46.0 p90 -129.88 178.94 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' ASP . 9.0 mt-30 -99.88 131.9 45.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' GLN . 5.9 m -37.06 -47.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 103' ' ' GLU . 9.8 p -56.08 -52.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.467 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 37.4 m-20 -40.0 -30.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 18.0 tp -99.94 -62.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CD2' ' HE1' ' A' ' 75' ' ' MET . 10.3 t80 -46.7 -57.52 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.468 ' CG ' HG21 ' A' ' 99' ' ' VAL . 51.1 mm-40 -98.2 23.28 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.69 35.53 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.418 ' CB ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -55.96 -23.3 31.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.8 113.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 46.6 mmm -85.65 -34.11 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.59 61.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.22 36.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.519 HG22 ' CD2' ' A' ' 96' ' ' PHE . 84.8 t -48.36 -26.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -83.15 -50.32 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -31.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 34.5 m -67.97 -62.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mt -46.28 -49.58 17.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.475 ' CG ' HD21 ' A' ' 10' ' ' LEU . 86.2 mmm -50.76 -35.48 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.7 -49.18 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 88' ' ' TYR . 16.5 tp -50.39 -49.16 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.12 -60.21 9.46 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 t -43.79 -49.2 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.461 ' CD1' HG23 ' A' ' 90' ' ' VAL . 1.4 mt -49.24 -39.98 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.533 ' HB1' ' CD1' ' A' ' 129' ' ' TYR . . . -75.19 -33.63 61.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.519 HG21 ' CZ ' ' A' ' 129' ' ' TYR . 56.7 t -61.04 -37.49 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.4 m -60.43 -46.18 90.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 126' ' ' ASP . 38.6 mttt -73.47 -45.53 53.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.44 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 124' ' ' LYS . 11.8 m-20 -97.15 57.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.446 ' O ' ' ND2' ' A' ' 128' ' ' ASN . . . -142.68 -61.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 127' ' ' GLY . 4.3 m120 -142.96 53.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.533 ' CD1' ' HB1' ' A' ' 121' ' ' ALA . 1.4 t80 -140.65 152.99 45.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -128.57 -54.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.56 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -67.51 -170.08 4.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.17 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 145.7 42.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -44.04 -27.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.56 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 22.2 m0 -48.05 -67.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -87.99 -38.68 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.9 ttp -49.99 160.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.15 98.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.1 p -169.78 147.46 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -113.73 153.08 17.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.12 4.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 m -78.66 105.94 10.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.5 m -142.54 140.04 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -157.32 176.08 13.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.51 106.99 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.78 -85.18 1.28 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.142 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 p 65.31 166.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -138.12 128.27 25.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.93 -176.37 14.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -49.61 158.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -39.09 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.63 -42.64 67.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -61.54 -53.95 49.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 2.5 mm-40 -38.71 -44.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -54.59 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD23 ' CE2' ' A' ' 136' ' ' PHE . 72.0 mt -44.17 -60.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 ' CG1' ' HG2' ' A' ' 28' ' ' ARG . 57.7 t -56.44 -51.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 4.5 mm-40 -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CD1' ' CE1' ' A' ' 129' ' ' TYR . 22.7 t90 -84.24 -61.07 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -47.55 -24.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 38.3 t -69.74 -53.66 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -68.22 -40.08 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.7 mm-40 -59.11 -69.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.424 ' CB ' HG23 ' A' ' 26' ' ' VAL . 3.2 m -66.96 -54.42 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.284 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.99 -179.76 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.67 3.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 -51.19 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG23 ' CB ' ' A' ' 22' ' ' CYS . 16.5 m -64.02 -30.32 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.04 -151.03 21.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -133.64 158.69 74.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.02 167.48 26.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.28 -171.32 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -39.83 155.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 33' ' ' ARG . . . -75.67 113.76 4.02 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER 163.85 -59.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 110.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 35' ' ' GLY . 2.3 mt -132.33 -44.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -30.48 -51.74 0.21 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' CZ ' HD13 ' A' ' 40' ' ' LEU . 31.5 t80 -49.8 -58.36 5.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.45 -67.12 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.4 t -40.56 -43.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -51.45 -51.8 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' GLN . 5.1 mt -106.96 48.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -100.36 -64.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -51.58 -51.1 58.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.4 11.32 31.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.52 1.138 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.12 -56.86 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.61 -40.8 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.1 mt -53.75 -51.31 63.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.4 m -56.58 -46.02 81.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -54.28 -38.8 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD11 ' CG ' ' A' ' 21' ' ' GLN . 22.4 tp -58.0 -70.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.9 p -46.81 -44.46 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' SER . 7.5 m-80 -59.3 -52.89 63.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASN . 10.6 p -39.13 -39.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' TYR . 28.3 mt -66.7 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.9 m-85 -36.55 154.78 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.48 -30.62 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.59 38.32 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.66 -71.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.23 88.4 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.99 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.7 t -100.26 159.38 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -120.68 98.5 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.91 114.77 65.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -69.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -78.0 145.26 69.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 151.42 39.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.76 16.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -56.95 3.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.95 149.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.04 -65.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -38.51 -47.85 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.32 -57.1 14.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -48.25 -58.74 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 6.5 mmm -47.78 -46.01 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.76 -51.21 70.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -39.16 -48.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 95.2 t -66.65 -51.55 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.27 -41.9 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -56.55 -45.55 81.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -72.49 -42.31 65.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.9 mt -51.64 -61.73 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -53.89 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.22 99.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.49 -37.98 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -53.42 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.39 -39.87 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.544 ' CD2' HD12 ' A' ' 117' ' ' LEU . 2.2 t80 -53.64 -54.18 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.26 44.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 120' ' ' LEU . 62.7 t -103.61 138.76 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.412 ' N ' HG13 ' A' ' 90' ' ' VAL . 14.7 pt -74.19 174.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -92.89 3.57 55.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.37 -4.75 25.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.379 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.53 -13.34 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.5 mmm -82.4 147.22 28.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 20.1 p90 -116.51 179.2 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' ASP . 3.1 mt-30 -98.82 138.16 36.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' GLN . 17.7 m -37.56 -40.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.7 p -65.22 -52.59 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.462 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 97.3 m-20 -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 25.8 tp -98.06 -61.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 75' ' ' MET . 19.2 t80 -49.06 -56.39 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 99' ' ' VAL . 50.4 mm-40 -89.15 11.9 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.13 42.78 0.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -68.52 -30.2 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -143.65 107.56 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.4 ' HE1' ' CG ' ' A' ' 37' ' ' GLN . 2.6 mmt -80.53 -36.52 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.05 97.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -61.31 -55.71 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.571 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 93.5 t -39.82 -33.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -77.91 -51.72 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -33.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.7 m -73.82 -65.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.425 ' CB ' HD21 ' A' ' 14' ' ' LEU . 13.5 mt -54.01 -43.51 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.461 ' HE3' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -48.09 -39.34 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.27 -52.13 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.544 HD12 ' CD2' ' A' ' 88' ' ' TYR . 16.7 tp -43.12 -60.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -51.22 -63.95 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -44.1 10.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.421 ' CD1' HG22 ' A' ' 90' ' ' VAL . 2.5 mt -54.54 -45.87 73.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.43 68.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.413 HG11 ' CB ' ' A' ' 133' ' ' PRO . 65.3 t -64.49 -39.92 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 12.6 m -63.0 -47.47 82.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 125' ' ' ASN . 50.8 mttt -56.65 -92.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 124' ' ' LYS . 5.7 t-20 78.31 99.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.17 -50.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.449 ' H ' ' ND2' ' A' ' 128' ' ' ASN . . . 170.0 55.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.449 ' ND2' ' H ' ' A' ' 127' ' ' GLY . 0.1 OUTLIER -132.08 -48.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.738 ' CE1' ' CD1' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -74.57 116.76 15.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -94.45 37.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.516 ' HA3' ' CH2' ' A' ' 135' ' ' TRP . . . -142.87 -120.95 1.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.411 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 11.7 m-20 -140.77 148.67 53.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.413 ' CB ' HG11 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.04 -24.13 13.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -86.8 47.88 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.516 ' CH2' ' HA3' ' A' ' 131' ' ' GLY . 19.4 m0 -113.05 -46.55 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.575 ' CE2' HD23 ' A' ' 14' ' ' LEU . 21.0 m-85 -96.18 10.19 38.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 74.4 mmm -64.72 126.74 28.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.67 -59.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.7 m 68.42 127.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -171.8 157.67 28.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 61.63 5.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -7.68 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.7 t -104.69 -56.81 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.64 78.67 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.74 117.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.37 133.12 11.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.55 169.49 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.777 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.67 147.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.01 -85.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 57.55 167.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.0 -57.62 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.19 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -39.04 -55.45 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.47 -52.79 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -63.56 -56.78 13.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 111' ' ' GLN . 19.6 mt -41.52 -56.08 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.568 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 97.8 t -60.15 -51.41 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -47.49 -26.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.503 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -82.73 -60.36 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG23 ' CH2' ' A' ' 39' ' ' TRP . 13.2 mt -47.68 -24.75 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' GLY . 21.6 t -69.64 -56.11 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -64.94 -38.84 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.4 mm-40 -60.59 -71.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.14 -54.04 46.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.05 175.67 16.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -128.31 -44.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 m -72.18 -28.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.56 -156.59 29.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -120.96 167.98 11.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo -74.99 123.59 8.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.31 144.91 27.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . 117.41 73.54 0.48 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 66.73 -68.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -147.43 90.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.72 -70.0 1.31 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -37.81 -58.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' CG ' ' HE2' ' A' ' 107' ' ' MET . 0.9 OUTLIER -43.76 -55.48 4.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -43.63 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 7.7 t90 -50.46 -38.15 42.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 44.5 mt -111.7 44.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 50.9 tttt -108.55 -56.18 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -44.01 -41.32 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.61 -33.06 5.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.2 t -45.02 -49.56 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.5 mt -60.02 -41.75 87.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.432 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 39.0 mt -63.22 -49.86 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.407 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 59.9 p -59.29 -37.43 77.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -65.85 -32.3 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 HD12 ' CG ' ' A' ' 21' ' ' GLN . 20.3 tp -63.08 -74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.6 p -41.62 -47.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.03 -58.65 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -40.52 -49.37 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.428 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 61.3 mt -55.02 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -39.12 138.57 0.85 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.4 Cg_endo -74.98 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.24 137.12 57.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.77 -9.94 58.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -100.85 -28.33 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -39.01 110.09 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 70.0 t -75.03 157.76 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -122.59 98.99 6.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -69.11 113.34 15.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.26 42.91 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.26 -56.82 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -98.95 157.97 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 73' ' ' LYS . 18.3 Cg_endo -74.98 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER 79.73 -58.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mtt -59.84 139.55 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.498 ' CG2' ' OH ' ' A' ' 102' ' ' TYR . 60.3 t -48.77 -74.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -38.89 -39.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -68.04 -61.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -44.41 -57.14 3.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.514 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 7.3 mmm -45.99 -42.83 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -48.22 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -42.13 -51.83 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.26 -49.41 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.96 -48.08 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -51.3 -41.83 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -75.82 -47.64 24.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.543 ' CD2' ' CE1' ' A' ' 96' ' ' PHE . 32.2 mt -46.38 -62.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -51.51 -41.23 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.82 99.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.59 -43.79 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.94 71.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -47.6 -47.9 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.56 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.4 t80 -45.65 -33.44 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.23 39.38 0.48 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 120' ' ' LEU . 44.8 t -105.27 136.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.5 pt -73.69 169.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -87.96 6.57 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.24 -11.65 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.23 -14.7 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 50.0 mmm -76.26 152.81 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.543 ' CE1' ' CD2' ' A' ' 82' ' ' LEU . 41.0 p90 -111.42 -179.89 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.8 mm-40 -103.3 128.62 50.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.2 m -36.8 -45.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.9 p -58.84 -52.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.461 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 76.6 m-20 -41.21 -28.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 11.3 tp -98.79 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.561 ' CE1' ' HE3' ' A' ' 41' ' ' LYS . 37.8 t80 -48.42 -53.96 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' LYS . 5.7 mm-40 -97.54 18.77 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -52.41 -41.42 63.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -150.34 100.61 2.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.465 ' HE2' ' CG ' ' A' ' 37' ' ' GLN . 1.5 mmt -67.92 -39.76 83.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -58.03 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -47.01 -60.53 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 109' ' ' ALA . 25.6 t -39.29 -41.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 58.8 mt-30 -74.16 -49.56 23.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -30.64 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 42.0 m -77.35 -61.26 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.425 ' CB ' HD22 ' A' ' 14' ' ' LEU . 15.3 mt -49.95 -46.67 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -40.03 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 117' ' ' LEU . . . -80.25 -53.27 6.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 88' ' ' TYR . 22.8 tp -40.38 -47.66 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.3 -66.35 2.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 t -43.03 -46.65 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.494 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.2 mt -52.67 -42.26 64.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.465 ' CB ' ' OH ' ' A' ' 88' ' ' TYR . . . -71.61 -32.09 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.37 -52.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.4 m -42.62 -36.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -78.22 -56.04 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.5 p30 40.42 49.14 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -52.88 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.02 57.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -131.08 -46.27 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.53 ' OH ' ' CD1' ' A' ' 136' ' ' PHE . 0.5 OUTLIER -66.4 120.32 13.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -70.51 -53.14 17.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.574 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -65.22 -152.47 0.11 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.07 151.16 39.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.13 16.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -87.27 46.78 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.574 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 19.7 m0 -114.33 -40.12 3.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.53 ' CD1' ' OH ' ' A' ' 129' ' ' TYR . 16.3 m-85 -136.27 75.98 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.48 115.72 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -165.43 115.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.8 t -109.0 101.68 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -107.25 -151.49 17.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.46 4.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.5 t -122.21 117.91 27.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.5 p 43.92 86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -154.52 152.85 30.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.774 . . . . 0.0 109.993 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.88 139.32 43.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 61.89 2.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.37 161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.029 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.58 122.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.97 -149.79 21.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -114.87 154.33 28.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -61.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -65.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.92 -59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -41.56 -49.57 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -57.37 7.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 136' ' ' PHE . 56.1 mt -41.28 -55.82 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.552 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 60.4 t -59.17 -49.93 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.8 mm-40 -49.96 -25.57 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.555 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 25.9 t90 -83.5 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 HG21 ' CH2' ' A' ' 39' ' ' TRP . 11.2 mt -42.67 -29.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.7 t -64.29 -55.2 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG21 ' CA ' ' A' ' 131' ' ' GLY . 1.1 m -66.94 -44.92 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.527 ' HG3' ' CE2' ' A' ' 17' ' ' TRP . 4.4 mm-40 -57.01 -67.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.1 m -63.38 -54.06 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 115.47 176.21 18.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.42 3.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.13 -47.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.5 -32.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.42 -141.73 16.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -128.85 165.82 29.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.92 163.2 35.94 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.32 177.79 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 165.67 19.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.78 161.45 0.85 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -47.71 83.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -44.68 -42.56 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.08 -70.65 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 40' ' ' LEU . 51.1 t80 -41.76 -51.55 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' CG ' ' HE3' ' A' ' 107' ' ' MET . 0.9 OUTLIER -42.75 -64.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.3 -47.09 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.552 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 2.8 t90 -43.48 -46.0 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 36' ' ' PHE . 13.8 mt -111.8 53.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -107.36 -65.86 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -41.57 -49.6 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.65 -20.97 24.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 67' ' ' PRO . 54.0 t -51.88 -49.69 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mt -60.83 -37.87 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 33.4 mt -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.6 p -64.5 -40.86 96.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE2' ' CG1' ' A' ' 63' ' ' VAL . 26.2 mttm -62.08 -33.16 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD1' ' CB ' ' A' ' 21' ' ' GLN . 29.7 tp -60.5 -74.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 51' ' ' ASN . 10.3 p -42.41 -45.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' SER . 1.0 OUTLIER -50.67 -59.93 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -38.45 -47.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' TYR . 30.4 mt -59.6 -82.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 41.8 m-85 -37.18 149.88 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -172.85 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 8.6 pt-20 -81.86 -26.55 34.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.49 17.35 34.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -71.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' CE ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 41.75 89.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.06 -61.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.16 157.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.53 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.449 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 67.2 t -81.06 114.21 47.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -173.42 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.87 -56.35 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -129.54 153.23 80.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.468 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 136.37 20.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.432 1.754 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -177.99 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.44 -40.31 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.71 163.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.2 t -82.63 -63.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -38.89 -47.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -61.2 -65.32 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -44.4 -56.96 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -51.57 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.46 -54.2 48.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -39.82 -46.75 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' PHE . 78.5 t -65.41 -57.96 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.53 -46.61 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -52.08 -45.95 65.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 1.2 t80 -70.52 -46.86 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.532 HD23 ' CZ ' ' A' ' 96' ' ' PHE . 26.8 mt -46.31 -53.5 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -59.12 -40.74 86.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.84 98.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.8 -54.47 46.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.22 -35.11 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -59.44 -46.59 88.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.576 ' CD2' HD12 ' A' ' 117' ' ' LEU . 1.5 t80 -49.66 -55.39 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 152.08 43.07 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.33 135.23 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.425 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 25.8 pt -58.91 174.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -91.7 -10.48 40.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.425 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 67.7 p -97.08 4.07 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' CG ' ' CG1' ' A' ' 91' ' ' ILE . 61.9 m-20 -108.31 -21.98 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.12 129.27 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.532 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 13.1 p90 -107.08 179.01 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.7 mt-30 -95.61 133.94 39.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.4 m -38.61 -42.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 7.4 p -62.62 -52.18 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.474 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 73.9 m-20 -38.33 -32.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 14.7 tp -101.03 -65.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -42.01 -49.49 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' LYS . 72.0 mm-40 -104.68 23.77 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 34.68 35.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -57.51 -44.3 84.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -143.75 97.59 3.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.47 ' HE3' ' CG ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -69.11 -38.67 79.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.81 -41.0 31.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -67.52 -54.46 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.52 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 57.8 t -39.55 -34.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -75.04 -52.53 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -35.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.4 m -72.27 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -28.22 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.58 -55.1 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -46.26 -60.52 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.555 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -48.14 -67.69 1.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -44.87 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.52 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 1.3 mt -53.43 -47.27 69.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.29 93.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.3 t -64.58 -50.11 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.6 m -47.78 -56.05 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 125' ' ' ASN . 61.4 mttt -47.86 -58.31 4.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 124' ' ' LYS . 20.1 t30 40.56 67.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.37 -45.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 148.24 74.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -134.49 -63.16 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.722 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.578 ' CE2' ' O ' ' A' ' 131' ' ' GLY . 0.0 OUTLIER -81.66 -166.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -137.09 27.83 2.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.578 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -115.64 141.54 17.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.515 ' HB2' ' CE2' ' A' ' 135' ' ' TRP . 1.5 m-20 -54.31 151.79 12.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.47 8.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 132' ' ' ASP . 22.4 m0 -119.34 -44.79 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.427 ' CE1' HD22 ' A' ' 14' ' ' LEU . 96.1 m-85 -139.02 76.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.3 145.13 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -147.19 152.37 38.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.03 -60.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 172.62 -164.51 36.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.156 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 81.58 2.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.1 m -51.42 -58.47 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.9 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 m -143.55 -58.67 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -112.75 89.1 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.19 63.86 0.54 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -115.64 88.55 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 p -175.2 147.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 12' ' ' GLU . . . -96.19 72.14 0.85 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -45.42 145.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -40.26 -56.2 2.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 115' ' ' MET . 0.6 OUTLIER -49.13 -68.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.49 -57.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -39.11 -49.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HD3' ' CG ' ' A' ' 136' ' ' PHE . 13.4 ttm105 -67.61 -56.76 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD2' ' HG2' ' A' ' 111' ' ' GLN . 0.1 OUTLIER -40.14 -52.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.551 HG12 ' CH2' ' A' ' 39' ' ' TRP . 60.7 t -65.77 -61.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' VAL . 1.8 mt-10 -38.6 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.521 ' NE1' ' CE1' ' A' ' 129' ' ' TYR . 12.6 t90 -76.26 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.556 HG21 ' CH2' ' A' ' 39' ' ' TRP . 6.7 mt -42.37 -27.8 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.9 t -62.22 -53.73 43.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' CG2' ' N ' ' A' ' 21' ' ' GLN . 1.1 m -65.89 -50.45 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.517 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -51.79 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.45 -53.88 50.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 110.08 178.29 20.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.44 3.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.81 -47.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.33 -32.59 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.58 -129.58 9.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -163.01 169.01 9.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -74.99 139.55 24.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.85 164.36 12.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' CD ' ' N ' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -58.77 176.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' N ' ' CD ' ' A' ' 31' ' ' ARG . . . 125.55 -171.43 17.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -50.43 -64.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.71 89.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.8 -61.09 3.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -42.38 -60.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CG ' ' HE3' ' A' ' 107' ' ' MET . 1.0 OUTLIER -45.49 -49.85 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.25 -42.84 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.556 ' CH2' HG21 ' A' ' 18' ' ' ILE . 12.9 t90 -53.23 -44.02 67.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 107.999 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 79.3 mt -106.91 42.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -104.35 -57.46 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -40.24 -54.29 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.06 -31.87 7.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.9 t -49.86 -45.75 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.8 mt -60.07 -49.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 101' ' ' LEU . 33.0 mt -53.29 -48.92 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -60.22 -40.99 92.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -61.87 -35.23 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD12 ' CB ' ' A' ' 21' ' ' GLN . 22.7 tp -58.43 -74.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 51' ' ' ASN . 3.3 p -45.32 -46.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 50' ' ' VAL . 8.6 m-80 -56.58 -52.98 62.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -50.5 -53.1 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.491 HD21 ' CG ' ' A' ' 21' ' ' GLN . 46.9 mt -50.27 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 20.3 m-85 -36.06 145.93 0.22 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -57.73 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.95 40.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.85 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.02 101.15 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.435 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.06 -43.25 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.2 t -93.22 152.58 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -115.26 102.1 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 p -106.91 125.62 32.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -75.03 4.12 5.04 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 64' ' ' PRO . 1.4 tt0 79.7 -71.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.06 132.54 82.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.05 30.93 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -88.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.74 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtt -42.38 156.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.9 t -79.27 -53.01 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -45.37 -53.57 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -55.52 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -40.06 -52.13 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -54.86 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.32 -48.34 46.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -41.22 -52.77 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -57.98 -51.85 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.47 -50.57 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -49.63 -40.51 39.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.33 -45.16 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 25.8 mt -50.3 -52.77 33.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.97 -32.23 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.6 -38.32 67.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 86' ' ' GLU . . . -54.59 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -34.91 -48.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -56.73 10.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.579 ' CD2' HD13 ' A' ' 117' ' ' LEU . 7.8 t80 -41.5 -36.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.454 ' CA ' HD11 ' A' ' 120' ' ' LEU . . . 147.56 -18.39 1.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.44 ' CG1' ' OD1' ' A' ' 94' ' ' ASP . 83.9 t -44.11 153.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.513 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 8.6 pt -103.15 -170.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -99.2 -9.57 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.513 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 11.5 p -83.89 -20.6 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 91' ' ' ILE . 6.8 p30 -102.84 -13.36 17.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.42 145.2 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 12.0 p90 -122.64 175.5 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -96.72 137.82 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -43.13 -37.3 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -68.3 -46.82 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 81.9 m-20 -44.52 -27.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 20.9 tp -104.84 -63.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.42 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 16.7 t80 -50.44 -56.81 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.04 10.21 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.08 46.66 1.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -72.67 -42.6 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -150.46 108.55 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.444 ' HE3' ' CG ' ' A' ' 37' ' ' GLN . 43.3 mmm -83.15 -36.16 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.84 -33.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 -49.65 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.479 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 54.4 t -42.45 -31.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.444 ' HG2' ' CD2' ' A' ' 14' ' ' LEU . 72.3 mt-30 -76.56 -52.63 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.33 -34.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 1.6 m -69.06 -55.71 9.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.5 mt -58.99 -51.34 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.411 ' CG ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.43 -33.43 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.42 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 88' ' ' TYR . 13.0 tp -47.17 -62.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -44.87 -67.58 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 -46.47 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.454 HD11 ' CA ' ' A' ' 89' ' ' GLY . 3.1 mt -54.59 -45.45 73.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.37 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.457 HG12 ' CB ' ' A' ' 133' ' ' PRO . 54.0 t -68.92 -40.55 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.1 m -48.08 -50.88 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.47 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 126' ' ' ASP . 23.1 p30 172.11 57.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 125' ' ' ASN . 40.4 t0 40.15 34.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.91 -78.94 0.5 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -74.39 -40.44 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.521 ' CE1' ' NE1' ' A' ' 17' ' ' TRP . 24.6 t80 -56.62 115.69 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -77.51 -42.12 36.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.571 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -60.34 -171.26 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.8 142.52 24.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.457 ' CB ' HG12 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -54.22 -20.62 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.571 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 28.3 m0 -51.78 -67.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 108.027 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.481 ' CG ' ' HD3' ' A' ' 13' ' ' ARG . 92.9 m-85 -86.11 -38.96 17.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.62 111.46 9.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -64.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.89 167.37 22.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 140.41 148.12 5.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.24 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.6 t -56.2 131.72 48.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 42.3 t -79.42 152.72 30.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.8 108.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.957 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -64.56 119.19 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.44 -108.62 1.22 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m 65.02 144.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -149.87 171.13 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.79 118.58 3.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.6 mt-10 -106.8 169.91 8.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 0.753 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.38 -36.39 68.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.11 -44.88 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.96 -50.68 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 2.7 mm-40 -41.0 -47.98 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -60.93 -53.41 57.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.47 -55.87 2.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG12 ' CH2' ' A' ' 39' ' ' TRP . 43.2 t -62.71 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.96 -31.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.565 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 18.3 t90 -78.06 -65.51 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -43.71 -27.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLY . 24.5 t -66.81 -54.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -66.5 -37.76 80.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.551 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.5 mm-40 -61.58 -70.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.4 m -63.92 -53.8 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.31 179.1 16.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.37 3.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.81 -52.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.9 m -63.84 -33.63 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.45 -149.26 20.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -129.61 169.05 14.19 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo -75.03 116.83 4.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.79 136.14 55.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 171.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' ARG . . . 102.58 144.4 14.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -36.41 140.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER 46.49 94.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.26 -58.38 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.597 1.186 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.45 ' CE1' HD13 ' A' ' 40' ' ' LEU . 59.6 t80 -53.39 -42.49 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -50.29 -58.85 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.94 -44.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.556 ' CH2' HG12 ' A' ' 15' ' ' VAL . 7.2 t90 -46.82 -39.3 11.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 50.8 mt -112.32 47.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -109.48 -58.13 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -40.3 -58.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.44 -34.8 4.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.1 t -46.64 -45.26 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.72 -57.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.9 mt -50.51 -42.39 54.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.1 p -66.95 -40.0 87.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -62.43 -35.39 79.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.0 tp -59.79 -71.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -45.43 -46.04 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.05 -53.16 59.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.1 p -39.75 -46.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.59 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.443 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 35.2 m-85 -43.86 134.03 3.95 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.2 25.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -50.91 133.22 27.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.71 -30.31 7.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.55 -16.05 50.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.09 101.57 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.443 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -70.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.6 t -56.39 158.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -117.56 103.32 9.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -117.32 118.95 35.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.76 -50.88 71.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -98.36 145.97 30.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 144.24 29.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.11 -47.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.12 146.03 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.87 -71.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -40.17 -32.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -65.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -48.41 -54.7 13.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -42.71 39.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.3 -43.08 82.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -46.4 -49.77 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.24 -53.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.08 -49.29 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -50.64 -44.64 57.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.48 -45.72 58.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -48.24 -54.0 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -60.42 -39.62 88.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.7 95.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.73 -29.61 70.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -51.91 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -35.56 51.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CD2' HD12 ' A' ' 117' ' ' LEU . 2.5 t80 -52.8 -50.29 63.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 142.13 43.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 79.5 t -106.94 133.58 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.421 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 29.2 pt -58.39 -172.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -108.07 -2.58 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.0 p -104.83 3.18 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.44 -14.95 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.42 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 66.6 mmm -84.98 158.93 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 47.5 p90 -125.44 175.45 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -94.43 136.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 9.9 m -36.72 -50.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.8 p -55.1 -53.05 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.474 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 20.7 m-20 -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 19.4 tp -99.51 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.01 -54.96 5.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 99' ' ' VAL . 39.6 mm-40 -100.08 22.63 11.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.57 35.86 0.23 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -28.53 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.41 100.1 1.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -40.47 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.58 -29.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -77.78 -50.6 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.576 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 60.6 t -40.84 -29.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.446 ' N ' ' C ' ' A' ' 109' ' ' ALA . 84.6 mt-30 -76.61 -54.37 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -37.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.7 m -64.8 -65.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' C ' ' N ' ' A' ' 116' ' ' ALA . 6.2 mt -50.12 -53.54 26.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -26.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 114' ' ' LEU . . . -93.11 -57.52 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 88' ' ' TYR . 17.3 tp -42.31 -62.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.565 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -44.5 -64.78 1.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -41.25 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.11 -48.6 79.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.69 81.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.78 -51.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 14.0 m -45.39 -50.57 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -53.88 -58.86 5.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 41.91 90.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -147.55 -53.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.57 52.42 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.1 -57.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.507 ' CE1' ' CE2' ' A' ' 17' ' ' TRP . 2.5 t80 -62.54 162.71 9.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 54.5 mmt-85 -125.74 -47.01 1.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.573 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -67.1 -154.47 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -96.6 144.48 27.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 135' ' ' TRP . 18.2 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -44.47 -27.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.573 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 37.1 m0 -49.67 -52.52 30.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 135' ' ' TRP . 14.9 m-85 -134.32 76.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.1 151.35 22.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.49 149.23 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.66 166.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -170.36 -147.56 5.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.65 4.96 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.6 p -177.6 119.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.09 -61.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.68 152.27 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -120.45 135.33 55.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.42 137.49 7.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.83 101.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.794 . . . . 0.0 109.987 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -59.23 130.54 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.967 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.74 69.43 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 54.41 172.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.78 -54.59 3.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -61.51 1.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -61.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -41.36 -55.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -61.75 -54.53 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' CE2' ' A' ' 136' ' ' PHE . 20.6 mt -41.06 -54.37 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.559 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 47.0 t -61.14 -50.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -44.64 -26.7 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.498 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -81.65 -59.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' CH2' ' A' ' 39' ' ' TRP . 8.0 mt -48.78 -23.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 38.9 t -71.32 -53.45 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -66.13 -38.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.0 mm-40 -64.22 -71.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.7 m -61.18 -53.48 56.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.79 176.96 20.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.02 -45.6 1.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.15 -30.04 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.14 -143.86 16.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.454 1.097 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -141.74 170.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.03 160.94 39.47 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -173.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -53.16 171.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -72.41 114.53 4.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 32' ' ' GLY . 3.4 mmt180 159.31 -71.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.44 89.65 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.42 -54.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -52.35 -44.41 65.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.466 ' CG ' ' HE3' ' A' ' 107' ' ' MET . 1.6 tm0? -55.76 -49.83 72.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.31 -36.34 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 3.2 t90 -54.53 -38.05 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 26.1 mt -112.52 43.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 41.0 tttt -108.52 -59.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -40.5 -51.42 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.83 -29.5 11.2 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 68' ' ' PRO . 40.1 t -45.56 -55.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 48' ' ' LYS . 6.1 mt -55.91 -58.3 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 81' ' ' PHE . 25.3 mt -49.1 -41.54 36.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.9 m -66.17 -28.74 69.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' ILE . 35.4 mttm -76.92 -37.96 54.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 21' ' ' GLN . 14.4 tp -58.81 -71.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.0 p -41.74 -47.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.5 -53.49 57.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -43.14 -40.59 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 ' CD2' ' OE1' ' A' ' 21' ' ' GLN . 40.3 mt -65.54 -80.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.1 m-85 -36.49 152.97 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.3 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 7.0 pt-20 -91.27 -23.29 20.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.81 19.72 28.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -130.98 -69.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 mptm? 42.22 85.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -75.0 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.767 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -89.49 165.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.363 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -130.7 98.79 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 50.1 t -73.08 113.96 26.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -48.68 -48.54 39.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -98.6 152.89 38.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.03 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.2 OUTLIER 84.6 -63.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.3 mtt -56.43 153.2 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.41 -69.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -44.36 -40.94 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 34.1 mmtt -68.1 -59.77 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -48.81 -54.23 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.33 -49.22 64.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.23 -51.14 70.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -42.56 -47.98 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.12 -50.6 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.62 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -49.56 -41.79 42.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.94 -46.29 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.5 mt -49.72 -62.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -53.09 -40.47 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.95 97.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.66 68.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -55.2 37.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' TYR . 6.5 m-20 -45.05 -54.33 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.474 ' CD2' HD12 ' A' ' 117' ' ' LEU . 6.2 t80 -37.03 -35.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.93 -14.31 2.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 91' ' ' ILE . 76.7 t -48.93 150.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.521 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 14.3 pt -96.46 -171.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.16 0.56 34.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.521 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 8.4 p -100.26 -12.49 19.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' HG13 ' A' ' 91' ' ' ILE . 14.4 p30 -108.57 -12.6 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 56.9 mmm -81.28 146.46 30.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 9.5 p90 -110.86 -176.65 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' ASP . 8.9 mt-30 -100.91 134.22 44.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.0 m -38.62 -38.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 6.5 p -67.45 -52.1 45.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.48 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 84.5 m-20 -40.48 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 10.8 tp -100.47 -63.36 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 41' ' ' LYS . 22.5 t80 -42.44 -56.56 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' LYS . 2.2 mm-40 -99.9 21.58 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.99 29.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.2 mmtt -49.83 -28.65 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -160.41 100.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.466 ' HE3' ' CG ' ' A' ' 37' ' ' GLN . 1.1 mmt -68.92 -45.84 69.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.56 -48.45 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -58.24 -57.07 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.575 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 64.7 t -39.66 -34.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -79.05 -50.5 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -43.54 -32.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 4.1 m -71.72 -66.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.418 ' CB ' HD21 ' A' ' 14' ' ' LEU . 18.5 mt -47.21 -47.53 24.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -35.03 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.59 -46.67 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.474 HD12 ' CD2' ' A' ' 88' ' ' TYR . 13.9 tp -46.16 -58.72 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -56.57 -59.73 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.98 -41.45 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.434 ' O ' ' CD ' ' A' ' 124' ' ' LYS . 0.8 OUTLIER -55.98 -46.92 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.458 ' CB ' ' CD2' ' A' ' 129' ' ' TYR . . . -70.18 -31.07 68.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.79 -42.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -57.32 -65.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.434 ' CD ' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -60.82 -56.14 24.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 124' ' ' LYS . 24.2 t-20 76.4 -57.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -94.48 60.97 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.29 -45.67 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 168.98 42.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.776 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.458 ' CD2' ' CB ' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -97.62 126.1 42.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.957 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -81.19 -73.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -57.55 -158.38 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.418 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 4.6 m-20 -92.85 146.26 31.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.83 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -87.78 45.16 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.563 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 16.3 m0 -109.05 -42.66 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 108.005 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.484 ' CE2' HD23 ' A' ' 14' ' ' LEU . 28.4 m-85 -94.34 -25.57 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.98 143.86 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.7 154.57 24.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.74 112.24 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 161.41 -165.93 35.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 154.11 42.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.9 t -118.66 86.3 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.4 p -41.67 127.01 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.2 113.59 14.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -48.35 145.9 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.21 -68.17 0.37 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -84.35 167.78 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 0.73 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t 64.3 123.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.58 152.08 28.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -79.62 158.84 26.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -57.97 10.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.38 -64.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 4.3 tt0 -38.75 -56.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.35 -51.39 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -66.87 -54.71 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 mt -41.36 -55.45 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.577 HG11 ' CH2' ' A' ' 39' ' ' TRP . 87.3 t -59.8 -50.98 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -45.24 -26.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.48 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 18.2 t90 -85.35 -68.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.56 HG21 ' CH2' ' A' ' 39' ' ' TRP . 4.0 mt -40.95 -27.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' N ' ' C ' ' A' ' 17' ' ' TRP . 10.1 t -65.81 -56.46 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.51 ' O ' ' CD ' ' A' ' 130' ' ' ARG . 1.4 m -60.49 -46.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 1.7 mm-40 -55.53 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.6 m -55.0 -52.61 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 112.22 176.88 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.59 3.68 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.69 -45.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 m -70.5 -32.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.85 -139.95 14.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -142.44 162.36 45.23 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.01 168.14 25.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.08 161.87 13.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -66.17 -176.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.53 6.91 89.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.63 -59.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.36 -38.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.34 -49.97 6.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 36.2 t80 -48.38 -55.26 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -42.41 -68.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -40.46 -43.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CH2' HG11 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -52.83 -52.22 57.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' GLN . 11.8 mt -106.0 47.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -99.12 -62.94 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -53.92 -49.57 68.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -17.33 31.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 t -47.05 -60.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.9 mt -54.7 -47.23 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.01 -42.93 63.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.9 m -66.52 -36.14 81.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -62.93 -34.39 77.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.48 -70.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 51' ' ' ASN . 10.9 p -44.12 -48.41 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.411 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.0 m-80 -52.33 -56.18 16.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 p -43.05 -49.44 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.507 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 65.9 mt -54.18 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 60' ' ' PRO . 26.3 m-85 -35.75 143.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 168.7 24.25 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 139.2 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.29 -38.65 3.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -88.45 45.53 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.951 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.41 114.15 51.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 -59.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -112.53 106.09 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.6 t -72.27 117.21 56.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.04 32.16 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.94 -66.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -110.81 157.39 38.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.3 26.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.59 14.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.67 -48.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.2 mmt -42.46 160.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.462 HG11 ' CE2' ' A' ' 102' ' ' TYR . 76.6 t -73.2 -68.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.88 -47.0 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -63.5 -67.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.6 -52.85 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.569 ' HE3' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -53.66 -55.32 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -43.62 -48.36 7.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.22 -51.62 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.15 -42.62 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.1 -46.1 79.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 85' ' ' ALA . 9.2 t80 -72.11 -43.03 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 96' ' ' PHE . 34.8 mt -52.17 -62.96 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -53.99 -38.46 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.44 96.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -57.21 -49.6 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -47.59 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.08 -41.06 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.521 ' CD2' HD12 ' A' ' 117' ' ' LEU . 2.9 t80 -53.61 -52.48 59.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.09 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' CD1' ' A' ' 120' ' ' LEU . 76.8 t -104.33 131.02 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.419 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 27.5 pt -56.97 -171.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -3.74 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.419 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 79.2 p -102.55 1.12 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -112.04 -13.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.47 139.53 32.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 26.4 p90 -106.82 174.1 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.2 mt-30 -92.64 136.81 32.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -38.85 -37.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.9 p -68.4 -52.42 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.466 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 94.5 m-20 -39.41 -30.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 99' ' ' VAL . 21.9 tp -100.59 -64.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 25.5 t80 -44.58 -53.1 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.448 ' HB2' ' CG2' ' A' ' 99' ' ' VAL . 10.9 mm-40 -97.65 20.12 12.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.81 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.4 mtpt -59.7 -31.68 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.74 111.39 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.29 -52.99 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.58 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -64.69 -56.13 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.565 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 48.9 t -40.07 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 96.3 mt-30 -80.48 -52.82 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -34.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 m -70.48 -66.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.4 mt -48.68 -47.55 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.91 -37.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.24 -56.34 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.521 HD12 ' CD2' ' A' ' 88' ' ' TYR . 15.0 tp -41.65 -55.83 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -53.29 -66.09 2.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -45.42 -44.62 12.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 3.8 mt -55.74 -50.64 69.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 137' ' ' MET . 35.1 t -67.62 -50.91 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.3 m -41.39 -51.43 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -64.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 42.43 86.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -155.68 -50.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -175.59 63.33 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -142.76 -62.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.58 137.89 29.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 20' ' ' VAL . 6.3 ttt180 -88.29 -36.85 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.576 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -83.43 -113.4 0.55 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 14.5 m-20 -137.53 150.85 69.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.35 7.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -82.31 52.43 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.576 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 19.4 m0 -118.01 -63.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.989 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -80.0 -57.26 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.432 ' HB2' ' CG1' ' A' ' 122' ' ' VAL . 3.5 ttt -52.03 153.6 2.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp 51.77 89.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.6 t -177.35 113.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 103.61 156.68 24.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.75 35.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 t 60.96 163.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.89 124.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -41.15 114.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -141.86 130.64 22.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.39 76.29 1.01 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -62.9 149.35 44.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -176.04 162.41 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.95 168.93 11.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.148 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -54.57 170.02 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -56.97 -64.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.26 -59.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.25 -62.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.81 -50.48 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.55 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -42.56 -56.91 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.569 HG11 ' CZ3' ' A' ' 39' ' ' TRP . 96.9 t -57.83 -54.57 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -44.36 -29.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.2 t90 -81.24 -53.46 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.04 -19.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLY . 71.5 t -77.03 -51.26 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -68.05 -40.78 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.544 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.8 mm-40 -60.74 -69.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.87 -53.81 44.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.96 175.11 17.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.22 4.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.41 -46.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -70.74 -31.7 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.27 -142.96 16.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -125.04 172.28 6.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HA ' ' CG ' ' A' ' 39' ' ' TRP . 18.3 Cg_endo -74.98 171.59 18.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.12 176.64 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 160.37 29.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.49 153.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -47.48 -50.6 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 1.4 mt -40.51 -50.67 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.96 -61.9 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.113 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 40' ' ' LEU . 42.4 t80 -37.88 -56.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.757 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.8 tm0? -46.62 -48.14 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.13 -45.92 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CZ3' HG11 ' A' ' 15' ' ' VAL . 10.5 t90 -48.82 -36.98 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 36' ' ' PHE . 13.7 mt -112.42 49.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -107.61 -57.03 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -41.27 -55.81 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.99 -37.48 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG2' ' HD3' ' A' ' 68' ' ' PRO . 77.6 t -43.12 -50.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.796 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.4 mt -57.49 -58.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.9 mt -50.68 -50.71 54.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -57.23 -37.16 71.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -64.29 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' ' CB ' ' A' ' 21' ' ' GLN . 24.2 tp -57.48 -73.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -43.91 -47.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -53.96 -54.99 31.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -45.52 -41.86 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.937 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' TYR . 84.2 mt -60.62 -85.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 58.9 m-85 -36.34 153.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.26 39.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 3.9 pt-20 -57.17 -37.18 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.19 37.69 3.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -174.31 44.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.4 mptm? -75.32 113.88 30.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.576 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.02 -69.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -81.78 163.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -125.07 99.77 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -98.51 114.32 65.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.87 -57.52 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -84.83 145.76 44.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 147.77 34.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HD3' ' CG2' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 139.15 23.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.91 -51.08 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.53 132.67 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.6 t -54.01 -61.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -39.11 -54.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.07 -65.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -39.77 -61.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.5 mtp -44.57 -45.23 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -50.54 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -38.95 -45.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' PHE . 89.2 t -69.18 -56.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.53 -45.19 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -53.23 -45.51 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.5 t80 -71.08 -45.76 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.62 ' CD2' ' CE1' ' A' ' 96' ' ' PHE . 26.7 mt -47.56 -59.15 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -57.55 -40.08 78.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.36 84.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -65.63 -49.64 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.14 -45.3 61.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -45.37 78.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.541 ' CD2' HD11 ' A' ' 117' ' ' LEU . 5.8 t80 -42.53 -30.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.83 36.08 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.0 t -91.87 157.54 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.2 pt -76.04 -175.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.79 -5.79 17.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 p -99.63 1.2 43.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.405 ' O ' ' OG1' ' A' ' 113' ' ' THR . 6.2 m-20 -109.23 -21.4 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.99 142.75 58.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.62 ' CE1' ' CD2' ' A' ' 82' ' ' LEU . 38.3 p90 -116.17 174.52 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.45 141.82 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 m -47.33 -35.75 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -69.17 -45.71 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.421 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 70.3 m-20 -44.37 -27.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 35.9 tp -104.66 -61.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -47.08 -53.38 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLY . 2.8 mm-40 -99.17 18.37 17.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.23 42.79 0.89 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -71.52 -31.29 66.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -153.13 90.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 107' ' ' MET . 0.7 OUTLIER -74.04 -45.39 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 107' ' ' MET . . . -47.44 -37.76 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -67.79 -52.9 31.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 51.6 t -39.4 -37.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' ARG . 45.1 mt-30 -69.51 -51.59 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' ALA . 1.7 ttm180 -38.29 -34.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 1.3 m -75.38 -56.73 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.4 mt -52.22 -50.69 61.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -40.8 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.69 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 88' ' ' TYR . 20.4 tp -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.39 -65.37 3.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -48.94 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.466 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 1.5 mt -53.72 -48.42 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -68.32 -22.2 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.3 t -78.65 -58.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.2 m -46.81 -33.4 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -57.29 -50.32 73.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 63.21 101.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 60.58 52.22 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -118.27 -35.78 0.99 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' TYR . 9.7 p30 -163.27 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' ASN . 1.2 t80 -37.07 155.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.9 -47.62 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.238 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.74 -148.47 0.9 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.27 137.76 22.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -34.45 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -51.17 -22.72 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.556 ' HB3' ' CE1' ' A' ' 136' ' ' PHE . 22.8 m0 -51.74 -36.43 47.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 135' ' ' TRP . 11.5 m-85 -140.43 78.96 1.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -47.04 18.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 160.05 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.8 p -118.71 -61.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.6 -150.82 5.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.72 7.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -111.02 108.58 18.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.19 149.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -174.23 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 0.776 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -144.38 123.66 13.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.08 159.88 22.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 p -164.76 128.4 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.61 -59.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.42 178.63 41.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.08 160.67 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.27 -19.75 56.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -85.61 -48.83 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 5.1 tt0 -57.15 -45.91 83.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 1.6 mm-40 -38.6 -50.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -56.66 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' HG ' ' CB ' ' A' ' 114' ' ' LEU . 1.7 mp -40.84 -54.25 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.566 HG11 ' CH2' ' A' ' 39' ' ' TRP . 22.0 t -66.39 -62.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -41.02 -34.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.5 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 19.8 t90 -74.43 -61.39 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 mt -45.77 -27.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 47.9 t -68.51 -53.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.79 -36.38 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HG2' ' NE1' ' A' ' 17' ' ' TRP . 3.2 mm-40 -65.22 -68.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.8 -51.57 54.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 118.5 175.45 16.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.1 3.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -126.07 -51.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.9 m -64.3 -30.92 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.59 -149.35 21.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -130.65 170.68 10.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo -74.99 157.47 42.78 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -172.58 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.33 158.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -63.39 -154.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.36 -64.8 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -150.54 91.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.36 -67.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CE1' HD11 ' A' ' 40' ' ' LEU . 55.2 t80 -46.77 -50.32 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -48.56 -44.74 36.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.82 -35.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CE3' HD22 ' A' ' 40' ' ' LEU . 7.3 t90 -54.8 -44.7 74.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.569 HD22 ' CE3' ' A' ' 39' ' ' TRP . 13.0 mt -107.68 43.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -103.2 -53.4 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.417 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 0.8 OUTLIER -47.0 -55.23 8.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.05 -30.65 8.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -47.79 -45.4 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -54.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 81' ' ' PHE . 20.6 mt -50.2 -50.36 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.7 m -61.34 -34.82 75.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.05 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 52' ' ' SER . 18.8 mttm -67.42 -35.93 80.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.8 tp -57.21 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 p -41.82 -49.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -46.22 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -41.64 -52.34 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.03 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.4 mt -51.25 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 42.5 m-85 -45.81 136.32 6.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.1 Cg_endo -75.03 -176.17 2.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.02 136.04 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.97 -12.43 57.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' LYS . 6.8 t -98.71 -27.51 13.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -37.72 108.21 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.496 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.6 t -80.8 162.2 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -131.86 97.08 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 t -64.33 112.28 7.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.72 34.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.12 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -87.6 129.12 52.11 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.77 37.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.08 -45.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -61.82 138.86 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.568 ' HA ' ' CE2' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -43.2 -70.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.85 -20.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.3 mmtp -82.72 -70.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' MET . 69.4 mt-30 -50.68 -42.99 57.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.476 ' CB ' HG21 ' A' ' 98' ' ' THR . 0.1 OUTLIER -48.58 -44.37 36.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.71 -42.51 88.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.8 t -72.73 -39.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.32 -49.1 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -51.25 -46.7 62.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.547 ' CE2' HD21 ' A' ' 46' ' ' LEU . 2.3 t80 -69.46 -43.4 73.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' O ' ' CE ' ' A' ' 95' ' ' MET . 34.9 mt -50.81 -54.77 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -59.62 -39.5 84.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.58 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -57.37 -46.13 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.35 -53.81 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.56 ' CD2' HD13 ' A' ' 117' ' ' LEU . 3.0 t80 -52.71 -50.48 63.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 141.71 44.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.047 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.4 t -104.86 132.25 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 10.1 pt -56.11 -176.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.44 -1.45 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.8 p -103.99 -1.29 27.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.458 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -107.73 -18.04 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 59.3 mmm -80.52 139.14 36.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 54.2 p90 -103.02 176.72 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.2 mt-30 -96.87 135.33 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.476 HG21 ' CB ' ' A' ' 75' ' ' MET . 26.0 m -36.92 -44.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.8 p -60.95 -52.57 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.469 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 73.3 m-20 -41.12 -29.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 16.7 tp -96.68 -63.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 6.6 t80 -46.96 -54.25 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.466 ' CG ' HG22 ' A' ' 99' ' ' VAL . 32.5 mm-40 -83.14 -17.57 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.95 27.92 73.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -59.29 -68.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.76 100.21 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.427 ' HE2' ' CB ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -78.22 -46.2 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.32 -37.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.453 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -67.92 -55.89 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . 78.0 t -40.58 -29.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 109' ' ' ALA . 77.6 mt-30 -84.3 -52.67 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -34.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.7 m -67.72 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.414 ' CB ' ' HG ' ' A' ' 14' ' ' LEU . 17.0 mt -51.91 -45.45 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -37.07 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.81 -48.94 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 88' ' ' TYR . 13.6 tp -45.82 -62.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.5 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.65 -61.01 6.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.51 -44.07 17.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.27 -49.55 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.56 72.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 129' ' ' TYR . 39.8 t -71.88 -46.75 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.1 m -54.35 -42.66 70.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -48.94 -95.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 125' ' ' ASN . 9.1 p-10 -170.36 42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.0 t0 43.78 30.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.13 -70.95 1.12 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -69.93 -43.59 71.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.538 ' CE2' HG21 ' A' ' 122' ' ' VAL . 2.0 t80 -45.22 129.74 7.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -86.44 -56.91 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -57.9 -157.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 0.4 OUTLIER -94.2 156.54 38.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.9 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -81.74 53.17 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.563 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 10.8 m0 -114.52 -57.46 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -82.71 -33.37 27.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.5 mmm -103.0 93.01 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 136.43 15.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.75 121.19 25.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.056 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.05 172.54 26.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.16 21.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.59 145.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.94 123.95 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p -91.29 75.96 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.731 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.52 -62.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.03 -112.82 0.68 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.28 164.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 m -44.21 161.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.87 -56.61 2.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.38 169.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -49.81 -36.15 25.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -47.56 -53.56 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' OE2' ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -66.04 -60.76 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 2.5 mt-10 -38.46 -48.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -53.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD22 ' CE2' ' A' ' 136' ' ' PHE . 27.1 mt -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.538 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 61.1 t -59.93 -53.91 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -46.31 -29.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.573 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 5.9 t90 -78.72 -65.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' CG1' HD11 ' A' ' 49' ' ' LEU . 4.6 mt -45.18 -25.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLY . 25.6 t -69.23 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 17' ' ' TRP . 1.0 OUTLIER -67.59 -39.93 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.573 ' NE2' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -60.3 -71.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 77.1 m -62.63 -48.45 79.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.26 179.25 20.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.9 3.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.77 -45.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.76 -24.57 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.25 -140.33 17.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.147 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -148.34 165.26 18.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -75.0 167.66 26.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -92.97 172.67 8.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 171.34 7.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.38 159.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.556 1.16 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -57.03 179.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 0.802 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER 77.74 -55.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -37.66 -63.34 0.86 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.085 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.457 ' CD2' ' OE2' ' A' ' 11' ' ' GLU . 41.4 t80 -52.86 -51.06 62.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' CG ' ' HE1' ' A' ' 107' ' ' MET . 1.2 tt0 -47.4 -58.67 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.41 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 84.8 t -54.4 -43.05 61.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.538 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -49.91 -42.62 48.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 55.4 mt -109.57 44.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 23.1 tttt -107.95 -58.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.1 -58.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.58 -38.77 2.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.3 t -42.29 -55.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mt -51.25 -61.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 81' ' ' PHE . 29.1 mt -44.53 -52.04 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.8 m -57.47 -40.35 78.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -65.2 -34.78 79.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD11 ' CG1' ' A' ' 18' ' ' ILE . 27.9 tp -57.16 -74.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.91 -48.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -54.57 -55.22 31.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 p -46.96 -52.01 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD23 ' CG ' ' A' ' 21' ' ' GLN . 32.9 mt -53.66 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 10.7 m-85 -34.94 149.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 176.03 10.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.83 141.19 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -41.08 3.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.3 m -85.36 47.71 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -85.85 113.6 52.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.0 -61.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 61.2 t -91.41 148.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 100.44 9.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.6 116.09 66.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.72 43.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.571 1.827 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.89 -58.16 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -77.51 133.6 67.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.72 37.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.06 -58.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.4 mtt -46.14 148.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.8 t -58.52 -64.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -43.71 -42.28 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -63.52 -64.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -49.13 -52.74 24.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -50.92 56.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -57.05 -53.1 61.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 76' ' ' GLU . 1.0 OUTLIER -38.84 -48.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.62 -55.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.53 -48.8 5.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -50.95 -44.72 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.561 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 ' O ' ' CE ' ' A' ' 95' ' ' MET . 48.9 mt -51.37 -60.91 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -54.78 -41.28 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.19 95.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -52.2 -49.51 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 89' ' ' GLY . 0.7 OUTLIER -47.98 -60.85 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -39.73 -50.77 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 117' ' ' LEU . 6.0 t80 -41.84 -40.8 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . 149.22 -19.16 1.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.489 ' CG1' ' OD2' ' A' ' 94' ' ' ASP . 72.4 t -43.72 141.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.515 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 31.3 pt -79.16 -168.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -10.56 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.515 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 33.0 p -93.45 -1.08 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.489 ' OD2' ' CG1' ' A' ' 90' ' ' VAL . 24.0 p-10 -112.43 -19.01 12.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.469 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 32.9 mmm -71.57 143.63 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.587 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 17.3 p90 -114.88 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.5 mt-30 -96.39 138.24 34.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' GLN . 53.4 m -38.42 -37.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 6.0 p -66.67 -51.62 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.486 ' HA ' ' CB ' ' A' ' 105' ' ' LYS . 92.5 m-20 -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 19.7 tp -102.9 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 103' ' ' GLU . 23.9 t80 -41.05 -52.81 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 102' ' ' TYR . 40.8 mm-40 -107.61 28.2 8.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.67 33.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -50.17 -26.12 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.01 101.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.454 ' HE1' ' CG ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -73.97 -32.49 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.18 -47.6 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 111' ' ' GLN . . . -69.63 -51.45 34.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.587 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 78.5 t -39.5 -31.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 109' ' ' ALA . 38.5 mt-30 -80.53 -54.35 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.464 ' HD3' ' CB ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.15 -36.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 1.1 m -67.9 -63.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.92 -51.83 64.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.429 ' SD ' ' CD1' ' A' ' 10' ' ' LEU . 59.9 mmm -45.23 -30.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.49 -42.41 16.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 88' ' ' TYR . 14.3 tp -52.99 -60.53 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.17 -65.7 2.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -42.81 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.07 -32.21 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.486 ' CG1' ' CB ' ' A' ' 133' ' ' PRO . 38.9 t -72.61 -46.9 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m -48.84 -56.37 8.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -54.14 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 t30 57.03 93.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.4 -52.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.9 48.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.27 -52.42 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -66.51 96.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -63.81 -27.72 69.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.475 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -81.49 -161.1 26.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.53 139.33 20.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.486 ' CB ' ' CG1' ' A' ' 122' ' ' VAL . 18.4 Cg_endo -74.97 -33.13 4.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -21.15 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.475 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 20.2 m0 -52.63 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.038 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.454 ' CE2' HD22 ' A' ' 14' ' ' LEU . 79.1 m-85 -88.54 -35.33 17.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 104.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -91.26 126.97 36.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.6 p -86.56 162.12 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 155.54 158.41 8.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 58.54 4.9 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.19 132.34 14.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 74.9 m -101.6 118.28 36.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -133.49 119.68 19.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.6 160.84 20.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.71 159.08 28.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.99 165.83 22.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 m -144.32 144.53 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.52 165.4 1.42 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.1 mt-10 -80.71 171.05 15.51 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 0.769 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -46.44 -60.44 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -52.13 62.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -51.33 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 3.0 mm-40 -41.07 -48.85 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -62.34 -54.11 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD23 ' CE2' ' A' ' 136' ' ' PHE . 25.2 mt -40.89 -53.84 2.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.34 -53.35 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' HG11 ' A' ' 20' ' ' VAL . 2.3 mm-40 -43.32 -28.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 22.0 t90 -79.91 -64.55 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 mt -42.72 -27.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 42.9 t -69.2 -50.87 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 130' ' ' ARG . 1.0 OUTLIER -66.09 -38.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.491 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . 3.9 mm-40 -66.56 -71.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -60.63 -52.64 64.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 116.87 178.51 17.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.97 3.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.31 -51.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.4 m -63.23 -32.58 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.94 -148.43 25.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.31 172.86 3.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -74.99 145.2 31.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.29 152.24 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 172.63 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.87 165.95 6.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -58.24 173.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 52.78 20.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.83 -65.09 2.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.454 ' CE1' HD13 ' A' ' 40' ' ' LEU . 30.3 t80 -47.29 -60.76 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tm0? -37.86 -58.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.01 -50.16 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -46.12 -38.24 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 107.993 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 68.7 mt -113.02 52.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -111.22 -58.97 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -40.05 -52.99 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.66 -28.62 11.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.05 -57.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.8 mt -53.13 -51.21 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' CD1' HD22 ' A' ' 101' ' ' LEU . 33.3 mt -55.3 -45.31 76.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.44 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . 26.0 p -61.9 -35.14 77.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -66.12 -49.12 68.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' CD1' ' CB ' ' A' ' 21' ' ' GLN . 18.3 tp -51.98 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -40.95 -50.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -51.6 -54.15 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 128' ' ' ASN . 1.5 p -43.2 -49.94 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' A' ' 88' ' ' TYR . 76.3 mt -56.55 -66.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 21.7 m-85 -47.0 151.08 1.19 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -169.11 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.77 -34.16 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.46 40.7 3.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.56 -71.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 40.0 84.01 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -54.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 47' ' ' SER . 49.0 t -94.23 162.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 132.54 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -112.79 109.07 53.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 179.78 5.74 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.42 -56.35 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -111.91 152.53 44.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.04 26.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 p -131.15 -45.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.82 160.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.0 -64.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -38.29 -51.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -68.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -41.23 -56.91 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 mtp -53.41 -52.74 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -53.62 30.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -40.15 -58.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.37 -57.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.71 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -49.44 -48.99 47.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -44.96 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.3 mt -49.07 -62.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -45.7 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.95 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -46.25 -51.9 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -56.22 21.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -41.8 -43.86 3.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 120' ' ' LEU . 2.7 t80 -51.21 -52.42 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.84 42.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 120' ' ' LEU . 55.1 t -103.42 137.63 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.42 ' CG1' ' OD2' ' A' ' 94' ' ' ASP . 6.5 pt -69.56 167.77 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -86.09 -1.01 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.61 -9.72 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' ' CG1' ' A' ' 91' ' ' ILE . 37.2 m-20 -102.19 -20.41 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 35.2 mmm -74.79 155.08 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 24.4 p90 -126.63 175.45 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.8 mt-30 -91.2 132.08 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -38.59 -37.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.462 HG22 ' CG ' ' A' ' 103' ' ' GLU . 9.8 p -69.2 -51.85 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.457 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 85.1 m-20 -39.85 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.508 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 23.1 tp -99.51 -64.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.29 -48.53 6.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.462 ' CG ' HG22 ' A' ' 99' ' ' VAL . 27.8 mm-40 -87.6 -33.76 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.76 18.46 47.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -52.77 -58.65 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -120.62 97.87 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 107' ' ' MET . 1.1 tpp -79.26 -42.02 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.51 -37.33 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -68.57 -52.54 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.581 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 84.3 t -39.43 -33.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -75.06 -52.21 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -40.7 -34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 5.2 m -67.99 -69.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.02 -47.81 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.56 -40.16 3.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.1 -46.99 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 88' ' ' TYR . 12.5 tp -51.53 -55.94 16.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.561 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -45.72 -69.77 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -45.74 -43.32 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.744 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 2.1 mt -55.97 -44.93 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.37 70.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 64.2 t -63.33 -38.23 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.9 m -69.61 -64.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.7 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.1 t30 51.38 89.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -130.11 -56.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -173.47 48.96 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.432 ' CB ' ' HA ' ' A' ' 53' ' ' LEU . 7.2 m-80 -148.81 -49.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.477 ' OH ' ' CA ' ' A' ' 132' ' ' ASP . 1.4 t80 -67.94 122.75 18.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 13.5 mmm180 -128.2 45.35 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.457 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -129.14 -153.46 7.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.477 ' CA ' ' OH ' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -116.66 154.74 49.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -44.96 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -49.17 -34.86 15.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.512 ' HB3' ' CD1' ' A' ' 136' ' ' PHE . 36.5 m0 -44.46 -50.92 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 135' ' ' TRP . 44.4 m-85 -149.02 81.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.3 ttt -105.64 106.86 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -111.78 173.32 6.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.77 149.49 50.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -142.95 -178.76 19.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.29 20.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.9 81.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.74 145.58 49.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m 61.67 153.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -173.39 130.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.6 -124.98 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.99 169.75 17.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 0.78 . . . . 0.0 110.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -56.71 164.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.72 -167.55 25.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -80.46 156.18 26.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.1 -57.76 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 115' ' ' MET . 0.4 OUTLIER -41.53 -70.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.94 -54.34 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.63 -51.27 12.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -58.13 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -40.42 -54.89 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG12 ' CD ' ' A' ' 29' ' ' PRO . 69.4 t -67.01 -63.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' VAL . 1.8 mt-10 -38.45 -33.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.488 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 24.4 t90 -76.93 -67.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.061 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.9 mt -41.4 -28.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 17' ' ' TRP . 29.4 t -65.98 -53.84 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG21 ' N ' ' A' ' 21' ' ' GLN . 1.2 m -66.46 -35.9 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' N ' HG21 ' A' ' 20' ' ' VAL . 3.1 mm-40 -68.8 -65.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.96 -53.51 54.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 114.06 173.83 18.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 54.41 3.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.99 -45.64 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.3 -27.9 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.44 -150.44 20.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -137.53 157.78 73.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' CD ' HG12 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -74.99 173.48 14.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.64 -162.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 162.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.48 110.12 3.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -177.36 -68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 35' ' ' GLY . 15.9 mt -135.02 -44.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -29.19 -58.05 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CE1' HD12 ' A' ' 40' ' ' LEU . 26.9 t80 -40.08 -57.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -43.27 -58.67 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.8 -47.27 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CE3' HD21 ' A' ' 40' ' ' LEU . 4.8 t90 -44.67 -39.92 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 20.7 mt -112.87 50.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASN . 69.8 tttt -108.02 -66.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' CG ' ' OE1' ' A' ' 74' ' ' GLN . 1.9 m120 -39.85 -56.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 112.21 -19.5 22.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.457 HG13 ' CG2' ' A' ' 63' ' ' VAL . 53.8 t -51.83 -51.98 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.84 -56.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 81' ' ' PHE . 19.7 mt -47.05 -49.51 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -58.77 -36.79 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -66.22 -30.47 70.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.99 -72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 p -46.7 -40.82 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -56.94 -58.77 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -52.45 -40.09 61.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.044 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 129' ' ' TYR . 76.2 mt -55.51 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 14.6 m-85 -36.07 151.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.44 39.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -47.99 155.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.62 -45.62 3.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' LYS . 18.6 t -57.92 -68.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 40.03 85.18 0.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -53.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.4 t -90.78 155.63 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -120.39 98.33 6.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.457 ' CG2' HG13 ' A' ' 44' ' ' VAL . 6.7 p -99.48 113.85 65.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.59 23.32 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.9 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -76.94 132.22 71.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.58 23.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.69 -152.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 74' ' ' GLN . 9.8 mtt 54.83 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 95.0 t -82.35 -65.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -42.16 -45.5 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -68.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' MET . 11.3 mm-40 -42.29 -54.95 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.9 mmm -46.61 -49.05 19.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.52 -50.51 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -40.8 -60.93 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.406 HG22 ' CA ' ' A' ' 43' ' ' GLY . 98.3 t -61.14 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.46 -46.58 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -53.03 -45.56 68.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 3.7 t80 -70.68 -44.58 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' ALA . 26.5 mt -49.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -44.54 -40.77 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.63 99.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -49.71 -52.65 29.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -48.68 61.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -48.23 -42.4 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.551 ' CD2' HD11 ' A' ' 117' ' ' LEU . 2.6 t80 -54.17 -48.68 70.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.3 44.48 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 91' ' ' ILE . 40.5 t -104.1 129.42 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.444 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 9.3 pt -53.39 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 17.3 tttt -103.49 -16.22 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.6 p -89.98 -1.88 58.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 1.2 m-20 -104.52 -23.32 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 44.2 mmm -74.95 137.77 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 51.8 p90 -111.08 -179.13 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' THR . 1.7 mt-30 -96.1 135.63 37.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . 42.2 m -37.68 -48.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.5 p -56.91 -52.82 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.476 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 m-20 -39.14 -31.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 18.9 tp -99.36 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.45 ' CE1' ' HB3' ' A' ' 74' ' ' GLN . 3.8 t80 -45.57 -58.17 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' GLY . 46.4 mm-40 -93.75 17.78 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 36.27 41.14 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.42 -33.3 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 100.45 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.38 -39.17 21.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.81 -32.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -82.22 -49.83 9.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . 75.4 t -41.78 -29.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 109' ' ' ALA . 91.2 mt-30 -78.1 -51.65 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -32.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 1.4 m -70.23 -55.9 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.4 mt -58.84 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.439 ' HG2' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -43.45 -27.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.58 -43.27 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 88' ' ' TYR . 12.2 tp -55.14 -58.52 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 136' ' ' PHE . . . -51.8 -63.46 4.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -47.85 -38.18 15.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.496 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 2.8 mt -59.21 -43.3 92.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 133' ' ' PRO . 46.1 t -65.86 -46.93 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' LYS . 18.4 m -56.4 -57.58 11.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' THR . 42.5 mttt -40.2 -57.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 46.8 t30 40.38 68.53 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.36 -46.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.33 67.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.457 ' N ' ' ND2' ' A' ' 128' ' ' ASN . 0.2 OUTLIER -128.29 -66.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 131' ' ' GLY . 0.0 OUTLIER -84.34 -171.38 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 131' ' ' GLY . 19.4 mmt180 -120.53 -52.64 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.601 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -36.64 135.86 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.56 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 33.8 m-20 -51.09 150.9 5.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.466 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.05 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.41 54.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.56 ' CD1' ' HB2' ' A' ' 132' ' ' ASP . 10.9 m0 -117.1 -68.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.029 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.509 ' CZ ' ' HA3' ' A' ' 118' ' ' GLY . 63.7 m-85 -68.41 -37.01 79.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.9 mtm -64.96 162.18 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.65 93.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 9.3 p -138.25 -59.82 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 166.27 -177.01 41.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.812 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.47 147.48 45.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.66 151.79 21.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m 59.14 155.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.04 125.07 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.86 63.7 0.85 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -171.94 144.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 0.0 109.952 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -55.84 98.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.44 114.65 1.91 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -73.61 145.54 45.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.35 -57.97 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.29 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.62 -56.74 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -54.42 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 136' ' ' PHE . 66.1 mt -41.85 -57.07 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG13 ' CD ' ' A' ' 29' ' ' PRO . 88.2 t -59.21 -51.1 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -51.66 -25.56 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.552 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.3 t90 -82.36 -57.91 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -49.16 -23.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLY . 34.8 t -72.29 -54.31 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.443 HG22 ' CA ' ' A' ' 131' ' ' GLY . 1.3 m -65.95 -39.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.552 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -59.99 -71.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 m -63.49 -54.23 39.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.96 174.76 16.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.428 1.08 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 54.62 3.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.54 -44.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.32 -29.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.63 -151.2 20.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -132.17 160.48 67.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' CD ' HG13 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.04 165.91 30.27 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -77.8 -161.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' CD ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -48.88 178.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.39 100.19 2.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HB2' ' CD ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER 178.22 -68.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.332 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' GLY . 10.5 mt -120.29 -39.86 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.52 -70.48 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -39.08 -54.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.749 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 102' ' ' TYR . 1.7 tm0? -50.69 -49.31 57.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.56 -49.04 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.467 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 13.6 t90 -49.45 -30.17 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 107.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 28.9 mt -114.55 37.12 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -104.55 -53.07 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -45.43 -54.07 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.86 -25.52 26.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.7 t -49.74 -50.31 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.62 -47.41 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.17 -46.43 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.4 m -61.21 -40.29 93.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -63.93 -38.85 92.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.45 -73.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.37 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -42.97 -47.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 p -43.86 -45.87 7.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' TYR . 93.1 mt -59.09 -85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 44.3 m-85 -36.27 153.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.44 -59.26 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.27 52.82 3.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -175.79 37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.31 114.15 42.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.563 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -61.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 62' ' ' LYS . 61.2 t -88.63 161.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' HG13 ' A' ' 61' ' ' VAL . 2.0 mppt? -126.2 101.47 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 p -89.23 114.73 61.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.28 -49.87 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -81.93 125.99 76.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.4 24.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -165.66 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.58 -65.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.5 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -38.58 122.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 102' ' ' TYR . 1.2 p -42.23 -69.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -47.3 -23.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.1 mmtt -85.58 -57.26 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' MET . 30.2 mt-30 -56.53 -45.36 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.517 ' CE ' ' CG ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -43.95 -43.31 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 110.977 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.59 -45.9 81.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -53.53 -57.59 10.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.5 t -58.21 -48.92 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.46 -51.44 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -50.22 -43.22 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' ALA . 1.7 t80 -72.78 -43.51 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.421 ' O ' ' CE ' ' A' ' 95' ' ' MET . 41.0 mt -52.29 -63.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.05 70.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.95 92.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.2 -34.04 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -59.12 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.47 -45.51 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CD2' HD11 ' A' ' 117' ' ' LEU . 4.7 t80 -45.33 -39.68 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.439 ' CA ' HD12 ' A' ' 120' ' ' LEU . . . 147.53 -18.1 1.48 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 91' ' ' ILE . 72.1 t -44.46 144.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 34.9 pt -87.07 -169.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.11 1.5 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.503 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 1.5 p -105.27 -3.11 23.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 91' ' ' ILE . 12.9 p30 -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 29.2 mmm -71.0 153.68 42.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 7.2 p90 -120.02 177.93 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.6 mt-30 -100.26 137.34 38.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.9 m -43.37 -33.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 1.2 m -72.27 -44.06 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 83.8 m-20 -49.52 -23.59 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 14.2 tp -105.73 -60.02 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 71' ' ' VAL . 30.7 t80 -55.01 -58.05 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.06 -1.54 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 51.28 41.53 47.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -70.96 -39.12 72.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -141.79 119.47 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -94.27 -38.78 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.92 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -60.19 -56.38 22.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.546 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 68.0 t -40.42 -37.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -72.12 -50.11 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.41 -30.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' ALA . 96.2 m -69.67 -69.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.425 ' CB ' HD21 ' A' ' 14' ' ' LEU . 29.4 mt -43.17 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -35.48 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' THR . . . -76.91 -55.06 5.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 88' ' ' TYR . 16.9 tp -45.72 -64.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -46.24 -60.12 4.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -52.29 -42.89 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.4 mt -62.03 -40.43 95.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.32 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.78 -47.75 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -49.39 -50.92 38.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -63.29 -69.61 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.9 t30 47.9 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.78 -52.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.477 ' H ' ' ND2' ' A' ' 128' ' ' ASN . . . 177.19 55.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.477 ' ND2' ' H ' ' A' ' 127' ' ' GLY . 0.0 OUTLIER -136.31 -58.39 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -52.06 113.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -42.94 75.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.575 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -75.34 -152.06 3.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.462 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 4.3 m-20 -103.2 149.26 36.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.65 12.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -88.26 44.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.575 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 14.6 m0 -107.98 -62.18 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.055 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.559 ' CE2' HD23 ' A' ' 14' ' ' LEU . 27.5 m-85 -75.46 -59.57 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.88 127.78 1.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -161.37 46.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.4 t -142.1 136.18 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.99 153.67 53.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 64.67 6.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.2 p -114.77 142.92 45.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.54 -45.12 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 p -148.82 -55.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 0.787 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -71.5 172.37 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.88 135.77 0.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.103 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.44 133.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.75 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -55.68 -178.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.35 -106.63 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 61.1 -175.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -20.78 63.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' ' HE2' ' A' ' 115' ' ' MET . 0.1 OUTLIER -55.1 -47.77 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 1.9 tt0 -44.74 -51.4 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -40.12 -44.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -51.51 63.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD23 ' CE2' ' A' ' 136' ' ' PHE . 47.4 mt -43.22 -56.56 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.48 HG13 ' CD ' ' A' ' 28' ' ' ARG . 43.8 t -58.65 -48.91 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -47.79 -25.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.471 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.0 t90 -85.05 -61.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG22 ' CH2' ' A' ' 39' ' ' TRP . 4.2 mt -48.46 -23.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 23' ' ' GLY . 41.4 t -69.1 -54.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.2 m -66.89 -38.2 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -62.62 -70.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -64.85 -53.41 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.246 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.99 179.36 17.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.03 3.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -125.63 -44.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 m -70.72 -32.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 -143.8 16.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.582 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -139.57 141.27 27.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.582 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.98 157.38 42.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -72.53 173.58 8.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -39.38 155.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.43 112.13 4.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -174.83 -54.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -148.97 -46.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -33.96 -66.79 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -38.07 -55.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -42.29 -59.48 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.417 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.1 t -58.11 -45.84 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.57 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 4.7 t90 -47.24 -37.18 10.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 30.4 mt -114.17 44.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 61.9 tttt -109.17 -54.19 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -44.56 -48.51 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.93 -31.55 8.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -49.16 -49.16 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.48 -52.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.99 -52.44 65.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.0 m -55.34 -39.53 70.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -60.93 -40.04 91.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' SER . 14.5 tp -58.39 -73.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.0 p -39.86 -48.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.411 ' N ' HG13 ' A' ' 50' ' ' VAL . 15.1 m-80 -57.84 -47.99 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 p -48.14 -47.0 35.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' TYR . 86.7 mt -57.08 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 52.0 m-85 -36.54 155.07 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.0 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.78 -58.77 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.42 53.15 3.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -176.36 41.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -80.38 113.96 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.98 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.33 160.72 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -113.76 130.67 56.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -110.44 110.28 57.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -75.06 0.67 8.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 64' ' ' PRO . 5.3 tt0 83.63 -56.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -89.77 132.39 36.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 144.92 30.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -172.1 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 t -128.56 -46.47 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -51.54 169.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.6 t -85.87 -58.05 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -41.97 -44.45 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -62.7 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -40.03 -58.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.555 ' HE2' ' CD2' ' A' ' 102' ' ' TYR . 0.9 OUTLIER -50.4 -47.78 56.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.44 -49.31 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.39 -63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.92 -48.98 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.19 55.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -53.37 -44.13 68.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -73.38 -43.13 61.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.47 ' O ' ' CE ' ' A' ' 95' ' ' MET . 45.1 mt -51.56 -59.71 3.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -54.83 -39.52 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.17 -37.28 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.64 -46.28 83.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.87 -40.45 56.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.516 ' CD2' HD13 ' A' ' 117' ' ' LEU . 2.7 t80 -53.41 -54.35 38.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.92 43.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 91' ' ' ILE . 69.1 t -106.12 137.48 36.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.402 ' N ' HG12 ' A' ' 90' ' ' VAL . 6.4 pt -73.14 167.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 2.98 43.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.63 -15.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 113' ' ' THR . 0.6 OUTLIER -100.71 -18.11 16.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 52.6 mmm -78.92 150.05 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 34.4 p90 -117.58 -172.38 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.042 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.7 mt-30 -103.45 134.47 46.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.5 m -38.14 -37.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 8.4 p -65.81 -52.33 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.476 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 62.3 m-20 -40.46 -29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 13.1 tp -99.77 -63.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.555 ' CD2' ' HE2' ' A' ' 75' ' ' MET . 35.7 t80 -43.9 -50.64 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -90.1 -18.0 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.32 25.13 76.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.9 -56.44 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -121.02 107.16 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.415 ' HE2' ' CB ' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -81.77 -47.05 13.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.96 -31.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.11 -53.86 8.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.576 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 92.4 t -42.98 -37.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -78.95 -46.78 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -28.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 2.6 m -74.97 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.95 -49.57 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.452 ' HE2' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.84 -33.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.99 -50.79 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.516 HD13 ' CD2' ' A' ' 88' ' ' TYR . 21.0 tp -45.7 -60.69 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -49.58 -67.66 1.69 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.59 -40.63 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.4 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 4.3 mt -59.79 -46.39 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -68.12 -29.66 68.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.421 HG12 ' CB ' ' A' ' 133' ' ' PRO . 64.1 t -68.72 -42.7 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m -60.19 -35.68 75.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -77.62 -79.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.5 t30 58.78 100.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -166.66 44.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 86.51 60.35 1.73 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -148.52 -55.12 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.402 ' OH ' ' CD1' ' A' ' 136' ' ' PHE . 1.0 OUTLIER -70.53 97.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -22.15 43.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.573 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -94.68 -153.97 30.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.27 149.66 38.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.421 ' CB ' HG12 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.97 -22.49 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -86.07 48.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.573 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 24.1 m0 -115.39 -59.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.524 ' CE2' HD23 ' A' ' 14' ' ' LEU . 30.0 m-85 -81.37 -4.5 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.73 141.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -174.05 -166.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.03 105.11 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.017 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -136.44 177.87 19.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.36 25.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.53 118.87 13.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.9 p -90.43 116.41 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.93 131.96 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.98 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m 60.22 162.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.19 -92.8 1.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.26 178.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -136.66 168.44 19.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.942 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.04 -174.21 34.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -97.6 152.56 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -53.44 -57.79 9.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.65 -64.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.35 -53.59 1.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.1 -59.49 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.36 -51.96 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 mt -41.47 -55.98 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.44 -53.24 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -45.54 -26.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.499 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 23.6 t90 -83.02 -56.87 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.527 HG21 ' CH2' ' A' ' 39' ' ' TRP . 13.5 mt -49.41 -24.4 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' GLY . 27.0 t -71.37 -54.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' CA ' ' A' ' 131' ' ' GLY . 1.2 m -67.91 -38.33 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.499 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 9.1 mm-40 -62.99 -69.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -65.29 -54.39 29.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 108.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.22 176.07 18.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.07 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.33 -46.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.42 -30.23 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.53 -142.29 16.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -135.78 170.39 11.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.0 152.12 40.38 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -54.61 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.7 mtt85 -44.33 166.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.05 137.74 13.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 62.38 159.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mp 40.61 50.57 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.08 -46.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -43.13 77.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.95 -37.45 74.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.4 t -81.81 -30.19 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.527 ' CH2' HG21 ' A' ' 18' ' ' ILE . 5.9 t90 -62.45 -37.89 87.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 30.0 mt -108.4 33.39 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -95.38 -57.98 2.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -42.34 -50.04 5.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.13 -26.75 23.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 67' ' ' PRO . 53.3 t -48.79 -46.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 mt -63.94 -42.52 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.0 mt -60.84 -45.21 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.7 p -65.18 -39.22 92.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -64.25 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 21' ' ' GLN . 35.1 tp -54.22 -73.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -45.62 -37.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -56.54 20.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -46.17 16.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.6 mt -53.72 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 17.1 m-85 -35.59 150.44 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 158.73 42.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.35 152.82 6.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.83 -44.67 3.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -55.71 -75.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 42.85 90.69 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.5 Cg_endo -74.96 -46.76 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.65 164.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.07 115.87 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.5 t -99.38 109.14 53.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 154.1 42.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.42 -62.09 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -100.85 139.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.03 148.39 35.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -155.67 -51.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.508 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 3.0 mtt -45.88 137.52 5.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.58 ' HA ' ' CE2' ' A' ' 102' ' ' TYR . 1.3 p -45.6 -69.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -51.89 -20.48 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 5.1 mmtp -82.7 -68.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -53.56 -44.08 68.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.461 ' CE ' HG12 ' A' ' 99' ' ' VAL . 15.1 mtp -48.94 -43.88 40.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -46.12 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -46.54 -47.04 19.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -72.77 -43.84 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.97 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -54.4 -44.36 72.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -72.98 -42.07 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 96' ' ' PHE . 42.1 mt -53.2 -56.14 18.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -59.57 -40.29 86.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.91 99.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.39 80.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -58.92 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -44.75 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.55 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.1 t80 -44.95 -38.79 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.68 -17.12 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.444 HG21 ' CD1' ' A' ' 120' ' ' LEU . 99.4 t -46.98 153.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.796 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.5 ' CD1' ' OG1' ' A' ' 93' ' ' THR . 18.5 pt -99.31 -171.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.8 7.42 39.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.5 ' OG1' ' CD1' ' A' ' 91' ' ' ILE . 2.2 p -108.1 -9.08 15.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' A' ' 113' ' ' THR . 9.0 p30 -112.25 -10.5 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 59.5 mmm -82.42 162.63 22.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 9.6 p90 -127.03 -177.51 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.7 mt-30 -103.21 134.2 47.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -41.89 -35.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 HG12 ' CE ' ' A' ' 75' ' ' MET . 2.7 m -68.12 -47.41 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.445 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 69.0 m-20 -48.86 -25.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 12.2 tp -101.18 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.58 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 5.0 t80 -51.52 -56.05 15.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.64 -5.55 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.46 44.53 85.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -68.96 -72.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.51 111.92 21.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.0 mmm -83.26 -28.43 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.83 -42.75 80.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -70.81 -52.68 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.574 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 53.8 t -41.83 -30.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 109' ' ' ALA . 72.6 mt-30 -81.45 -51.5 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.65 -31.77 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 8.5 m -68.22 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.8 mt -42.66 -50.05 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -41.47 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.35 -59.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 88' ' ' TYR . 18.9 tp -40.16 -55.99 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.65 -67.16 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -48.01 -41.52 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 0.799 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 90' ' ' VAL . 2.3 mt -58.44 -32.24 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.35 -30.66 30.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.07 -50.37 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.6 m -48.12 -47.02 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -61.33 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.63 94.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.235 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -149.0 -50.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.79 52.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.01 -50.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 0.741 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -72.49 108.14 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 5.9 mmm180 -65.05 -43.84 91.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.557 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -66.85 -163.68 1.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.521 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 13.6 m-20 -84.2 152.56 61.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -32.36 5.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -83.21 51.87 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.562 ' HB3' ' CE1' ' A' ' 136' ' ' PHE . 15.5 m0 -114.69 -40.48 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 135' ' ' TRP . 13.7 m-85 -138.92 77.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.82 118.87 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -173.34 170.17 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.52 118.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -117.82 -145.45 7.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.28 2.62 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.5 m 46.91 94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.998 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.43 86.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -138.1 100.94 4.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -172.28 104.9 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.16 165.46 14.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' CZ ' ' A' ' 31' ' ' ARG . 3.6 m -163.27 -57.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -99.16 169.42 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.65 118.34 0.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -80.01 144.49 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.83 -56.69 18.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.61 -66.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -38.66 -56.8 1.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.0 -48.55 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -67.21 -57.64 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' CB ' ' A' ' 114' ' ' LEU . 61.1 mt -40.06 -56.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG13 ' CD ' ' A' ' 28' ' ' ARG . 38.9 t -58.07 -50.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.46 -25.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.55 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 20.7 t90 -86.59 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.518 HG21 ' CH2' ' A' ' 39' ' ' TRP . 5.6 mt -46.98 -24.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' GLY . 43.1 t -69.72 -54.07 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -67.52 -38.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.55 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 5.4 mm-40 -59.03 -70.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -66.73 -53.04 37.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.71 179.6 16.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.47 3.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.13 -44.84 2.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.0 m -69.68 -33.09 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 -144.92 17.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -140.72 141.55 25.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.566 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.98 163.12 36.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ARG . 2.6 m-20 -78.77 176.87 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 5' ' ' SER . 4.1 mtt180 -38.9 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.5 113.92 5.12 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.14 -63.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.0 mt -138.11 -46.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.75 -67.55 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CE1' HD11 ' A' ' 40' ' ' LEU . 37.4 t80 -39.56 -52.52 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' CB ' ' HE2' ' A' ' 107' ' ' MET . 1.3 tm0? -45.64 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.6 t -55.85 -44.9 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.524 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 6.4 t90 -44.57 -42.07 7.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD11 ' CE1' ' A' ' 36' ' ' PHE . 29.6 mt -111.37 47.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 18.9 tttt -110.35 -56.31 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -43.42 -51.09 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.23 -27.59 17.85 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -50.44 -40.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -68.94 -56.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 33.1 mt -50.58 -44.7 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.0 m -63.4 -35.39 80.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -67.73 -41.43 83.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.8 tp -55.35 -73.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -41.55 -48.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -48.39 -60.45 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.92 -52.55 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' TYR . 43.8 mt -53.02 -79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 29.9 m-85 -36.53 152.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.65 -34.24 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 41.25 3.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.56 -72.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.41 88.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.94 -59.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.97 165.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.05 102.45 6.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -100.5 115.74 65.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -101.82 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.94 36.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.4 Cg_endo -75.01 -57.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER 84.73 -48.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 126.61 28.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.0 t -41.87 -67.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -43.07 -47.96 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -61.83 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -43.23 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.61 -43.87 36.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' GLN . 34.3 mt-10 -63.61 -52.6 60.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' GLU . 2.1 tp60 -39.01 -48.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.99 -52.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -41.63 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.444 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 4.7 t80 -68.6 -43.43 76.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' O ' ' CE ' ' A' ' 95' ' ' MET . 36.5 mt -51.03 -71.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -44.66 -40.46 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.93 -42.82 99.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' LEU . . . -53.85 -38.94 65.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -47.66 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -48.71 -44.48 38.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.511 ' CD2' HD12 ' A' ' 117' ' ' LEU . 3.3 t80 -50.5 -55.21 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 150.57 42.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 79.4 t -106.13 136.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.4 pt -70.51 169.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -86.53 2.67 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.74 -11.57 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.76 -21.41 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 40.2 mmm -77.15 137.54 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 7.9 p90 -105.67 178.81 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.6 mt-30 -93.58 135.92 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.2 m -37.07 -48.2 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 100' ' ' ASP . 9.4 p -55.84 -52.49 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.472 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 54.0 m-20 -39.55 -30.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 16.4 tp -101.01 -64.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.563 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 20.7 t80 -42.92 -51.63 5.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' LYS . 5.6 mm-40 -104.77 23.89 12.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.06 31.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -51.43 -37.02 46.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -147.33 109.37 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.462 ' HE2' ' CB ' ' A' ' 37' ' ' GLN . 1.6 mmt -82.42 -32.43 29.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.12 75.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -63.16 -51.28 67.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.586 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 87.3 t -39.25 -30.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 109' ' ' ALA . 65.5 mt-30 -84.1 -53.47 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.85 -34.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -68.32 -69.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' CB ' HD22 ' A' ' 14' ' ' LEU . 19.4 mt -48.52 -47.78 38.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -39.07 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.28 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.511 HD12 ' CD2' ' A' ' 88' ' ' TYR . 17.3 tp -42.37 -57.38 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.21 -66.06 2.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -38.89 17.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.82 -43.07 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.96 63.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 129' ' ' TYR . 86.2 t -74.03 -48.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 88.6 m -39.89 -52.82 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -41.02 -89.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 127' ' ' GLY . 17.6 m-20 176.79 59.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' ASN . 0.2 OUTLIER 39.83 30.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 125' ' ' ASN . . . -74.51 -68.71 1.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -78.32 -36.12 46.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 122' ' ' VAL . 3.5 t80 -66.79 104.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -63.98 -42.12 97.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.559 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -61.89 -171.97 1.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.68 151.01 54.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -33.17 4.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -31.21 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.559 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 32.9 m0 -46.76 -44.47 19.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.511 ' CD1' ' OH ' ' A' ' 129' ' ' TYR . 35.6 m-85 -138.6 77.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 4.6 ptp -73.72 148.0 43.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.01 137.56 10.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.8 t -161.68 84.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 171.31 -160.5 32.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.91 5.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.21 126.12 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.4 t -143.22 127.56 17.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -144.42 -58.76 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -109.62 73.38 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.21 -163.26 10.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -138.82 94.4 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.52 -57.59 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.34 -69.41 2.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 60.99 146.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.41 -47.91 66.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -43.43 -52.64 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.54 -49.36 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' GLU . 2.9 mm-40 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -54.95 -45.97 74.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 3.3 mp -51.03 -62.07 1.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 28' ' ' ARG . 46.4 t -62.83 -62.25 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' GLU . 1.9 mt-10 -40.17 -34.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' NE1' ' CZ ' ' A' ' 129' ' ' TYR . 19.5 t90 -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 107.99 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.2 mt -50.83 -22.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.489 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 40.8 t -70.13 -51.99 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG21 ' CA ' ' A' ' 131' ' ' GLY . 1.0 OUTLIER -69.36 -38.93 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG3' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -61.69 -69.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -65.92 -49.23 68.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 112.52 -178.2 18.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.58 3.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.92 -47.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 m -67.34 -33.45 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.44 -138.62 14.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -144.82 141.97 18.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 0.734 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.598 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -74.99 129.43 12.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -48.29 160.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 167.85 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.4 -133.42 11.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.79 -47.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.74 -55.56 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -37.47 -64.54 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 40' ' ' LEU . 45.2 t80 -41.56 -52.74 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -61.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 96.4 t -57.38 -47.37 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 8.5 t90 -49.05 -37.44 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 ' CE1' ' A' ' 36' ' ' PHE . 56.6 mt -112.53 41.26 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 14.7 tttm -105.24 -55.47 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -40.87 -46.77 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.8 9.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -50.04 -54.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mt -49.84 -50.89 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.7 mt -57.41 -49.16 77.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 63.3 m -57.42 -37.35 72.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -68.25 -36.66 79.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.51 -74.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.54 -44.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 3.0 m-80 -51.15 -59.67 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.7 OUTLIER -39.09 -51.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' TYR . 31.0 mt -54.13 -79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 25.7 m-85 -35.97 149.61 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -172.22 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -78.55 -33.98 47.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.94 41.58 3.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.088 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.66 -73.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 41.23 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.95 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.3 t -86.14 166.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.97 102.07 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.6 t -83.73 117.25 68.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -45.68 -64.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -118.15 164.8 18.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.22 37.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -176.96 3.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.69 -48.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mtt -49.97 153.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.76 -60.18 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -47.95 -37.11 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.7 -68.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -45.62 -49.53 14.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.18 -52.61 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.38 -44.91 89.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -44.09 -42.23 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.75 -53.39 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.29 6.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -72.06 -43.26 65.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD22 ' CE1' ' A' ' 96' ' ' PHE . 38.2 mt -53.39 -58.2 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -52.54 -44.23 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.62 -47.2 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -50.38 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -40.53 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.441 ' CD2' HD13 ' A' ' 117' ' ' LEU . 2.9 t80 -52.17 -55.39 21.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 150.18 43.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.7 t -108.46 129.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.9 pt -61.75 174.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -12.34 47.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.62 -12.86 38.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' O ' ' OG1' ' A' ' 113' ' ' THR . 87.6 m-20 -98.42 -21.12 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 35.4 mmm -81.14 147.49 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 11.9 p90 -108.75 -176.91 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mt-30 -96.17 139.4 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 m -47.01 -23.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -87.49 -37.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' GLN . 80.1 m-20 -50.04 -23.02 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -106.75 -63.43 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 28.5 t80 -49.99 -52.57 32.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' LYS . 14.1 mm-40 -90.66 12.6 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.56 30.59 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' GLU . 12.0 mttt -57.12 -45.39 83.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -141.49 107.87 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 38.0 mmm -82.58 -36.71 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.63 11.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -76.71 -53.2 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 95.2 t -41.28 -30.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 109' ' ' ALA . 89.0 mt-30 -81.26 -51.79 8.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -33.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 94' ' ' ASP . 3.2 m -68.59 -64.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 17.7 mt -46.96 -50.77 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.48 -37.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.71 -57.28 3.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 88' ' ' TYR . 20.9 tp -43.46 -49.57 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.58 -69.67 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.0 -36.0 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.0 -51.63 56.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.74 -17.25 55.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.6 t -83.04 -45.87 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.5 m -76.98 -40.58 46.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.8 -100.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 127' ' ' GLY . 5.6 p30 -130.63 70.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 129' ' ' TYR . 7.9 p-10 -39.33 -30.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 125' ' ' ASN . . . -46.96 -34.69 7.53 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.527 ' N ' HD21 ' A' ' 128' ' ' ASN . 1.2 m-80 -78.02 -31.93 50.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 0.719 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.544 ' CZ ' ' NE1' ' A' ' 17' ' ' TRP . 3.2 t80 -61.07 116.49 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -58.45 -57.75 11.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.557 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -62.62 -165.7 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.421 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 2.0 m-20 -90.81 151.79 43.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.13 8.51 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -84.31 50.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.557 ' CZ3' ' HA3' ' A' ' 131' ' ' GLY . 14.9 m0 -112.96 -58.41 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.982 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -89.78 -37.46 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 153.06 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -139.88 155.33 47.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 61.8 p -113.49 122.32 46.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -173.92 -178.65 44.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 76.59 3.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.8 t -133.07 158.21 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.6 m -145.47 131.86 19.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.522 HD11 ' HE3' ' A' ' 115' ' ' MET . 0.4 OUTLIER -40.34 -62.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.22 -56.44 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.4 -56.1 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -60.45 -52.15 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 mt -40.66 -54.51 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.699 HG13 ' CH2' ' A' ' 39' ' ' TRP . 74.9 t -60.84 -50.62 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.675 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.6 mt-10 -46.67 -25.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.457 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.3 t90 -84.36 -56.33 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mt -52.7 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 15' ' ' VAL . 37.2 t -73.36 -53.68 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.749 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -66.04 -38.88 83.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -63.68 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.01 -54.14 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 113.82 177.13 19.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.07 3.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.86 -45.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.16 -27.11 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.01 -151.54 26.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -136.84 174.14 4.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.74 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' TRP . 40.8 t80 -73.98 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -46.29 -42.14 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.245 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.1 t -69.5 -34.98 64.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.699 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.6 t90 -59.51 -43.69 93.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.797 ' O ' HD21 ' A' ' 101' ' ' LEU . 48.1 mt -103.77 42.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 13.0 tttt -104.38 -60.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.743 ' OD1' HG23 ' A' ' 44' ' ' VAL . 22.2 t-20 -42.06 -55.78 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.51 -32.46 6.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.743 HG23 ' OD1' ' A' ' 42' ' ' ASN . 36.9 t -43.92 -48.37 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.25 -41.92 94.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 81' ' ' PHE . 26.3 mt -62.33 -51.81 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.47 ' HB3' HG11 ' A' ' 61' ' ' VAL . 46.3 m -58.19 -33.23 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HE2' HG11 ' A' ' 63' ' ' VAL . 22.2 mttm -68.26 -38.71 82.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.56 -70.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 51' ' ' ASN . 9.2 p -41.24 -49.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.453 ' N ' HG13 ' A' ' 50' ' ' VAL . 6.4 m-80 -56.37 -51.99 66.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 p -40.62 -38.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' TYR . 9.6 mt -75.16 -72.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 13.2 m-85 -35.13 150.76 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.6 5.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -32.06 53.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.23 38.08 3.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -145.5 -72.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.07 90.44 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.99 -51.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.813 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 62' ' ' LYS . 48.4 t -90.47 168.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.541 ' N ' HG12 ' A' ' 61' ' ' VAL . 25.9 mttt -127.97 107.68 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.498 HG11 ' HE2' ' A' ' 48' ' ' LYS . 76.5 t -97.33 118.44 64.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 177.32 8.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.98 -58.5 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -101.61 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.96 145.22 31.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.99 -174.08 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.11 -46.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mtt -43.28 158.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -72.39 -64.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -40.0 -42.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -67.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.58 -51.49 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -47.91 71.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.21 -49.38 72.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -41.72 -43.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' PHE . 97.1 t -68.94 -54.01 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.0 -45.55 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -52.63 -41.6 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.7 t80 -76.95 -44.47 31.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 mt -51.95 -57.52 9.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -57.63 -41.05 80.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.77 96.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.48 -56.88 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -43.96 -52.17 7.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.35 -54.46 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.45 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.9 t80 -40.32 -40.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.82 -17.63 1.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.486 HG13 ' OD2' ' A' ' 94' ' ' ASP . 96.5 t -43.52 151.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.556 HD12 ' HB ' ' A' ' 93' ' ' THR . 25.7 pt -96.95 -170.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -102.69 2.03 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.556 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.73 -6.57 23.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' HG13 ' A' ' 90' ' ' VAL . 7.2 p30 -115.92 -7.96 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 68.8 mmm -88.49 140.18 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 16.0 p90 -107.09 -176.14 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mm-40 -101.03 137.54 39.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' GLN . 86.6 m -37.82 -41.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.9 p -65.15 -52.37 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 99' ' ' VAL . 88.0 m-20 -39.68 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.797 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -99.26 -61.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 11.6 t80 -45.8 -56.48 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 26.2 mt-10 -100.18 23.91 9.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.61 29.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -47.77 -36.8 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.1 m-20 -152.07 112.86 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 40.0 mmm -86.21 -32.28 21.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.06 -30.72 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -79.22 -51.18 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.542 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 74.0 t -40.04 -30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 70.3 mt-30 -80.8 -53.99 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -36.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.4 m -66.37 -68.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.454 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.48 -46.53 57.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.522 ' HE3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.16 -34.59 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.87 -53.63 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -44.93 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -40.69 -64.64 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -46.07 -48.33 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.34 -43.23 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.57 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 118' ' ' GLY . 79.3 t -62.66 -33.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.416 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 1.7 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.1 15.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -88.58 45.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.749 ' HH2' HG11 ' A' ' 20' ' ' VAL . 18.4 m0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.011 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.447 HD22 ' HE3' ' A' ' 115' ' ' MET . 0.1 OUTLIER -57.88 -46.18 85.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.41 -50.77 66.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -45.22 -47.37 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' LEU . 3.8 mtt180 -58.78 -52.95 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -40.63 -55.16 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.603 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 91.9 t -64.84 -59.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.2 mt-10 -41.35 -29.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.479 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.5 t90 -77.67 -58.84 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -48.95 -23.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 54.3 t -71.75 -52.75 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.737 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -68.54 -37.47 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.487 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.9 mm-40 -62.99 -69.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.3 m -65.59 -53.49 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 115.89 177.34 18.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.69 4.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -127.62 -45.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.46 -27.13 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.5 -140.54 15.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -149.96 164.68 19.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -42.7 -52.01 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tt0 -48.61 -50.45 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 94.5 t -60.87 -48.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.603 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 6.5 t90 -49.99 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.811 ' O ' HD11 ' A' ' 101' ' ' LEU . 38.4 mt -115.24 38.51 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 8.3 tttt -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -40.99 -50.35 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.18 43.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.552 HG13 ' CG2' ' A' ' 63' ' ' VAL . 55.6 t -57.77 -49.78 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.02 -42.01 81.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 81' ' ' PHE . 24.5 mt -56.06 -49.13 74.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -59.63 -40.92 89.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -59.28 -39.37 82.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 21' ' ' GLN . 30.0 tp -56.53 -73.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.472 HG21 ' HB1' ' A' ' 84' ' ' ALA . 9.0 p -42.86 -48.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.7 m-20 -57.5 -42.18 82.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.1 p -49.38 -35.82 19.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' A' ' 88' ' ' TYR . 38.0 mt -71.37 -84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 62.0 m-85 -35.9 149.84 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.34 10.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 10.4 pt-20 -70.67 -23.44 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.4 19.42 27.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -130.2 -71.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 mptm? 41.43 85.73 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -75.03 -44.77 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 80' ' ' GLN . 93.0 t -96.6 160.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 61' ' ' VAL . 16.5 mttt -120.94 100.4 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.801 HG22 ' H ' ' A' ' 65' ' ' GLU . 3.4 p -108.78 125.73 31.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 6.4 3.42 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.801 ' H ' HG22 ' A' ' 63' ' ' VAL . 0.9 OUTLIER 74.91 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -72.08 127.34 90.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -75.02 -87.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.94 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.16 155.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.857 HG22 ' OH ' ' A' ' 102' ' ' TYR . 24.9 t -82.58 -58.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -40.91 -45.62 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -63.51 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -41.07 -49.5 3.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -59.85 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.19 -52.95 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -39.13 -49.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -60.68 -58.1 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.17 -49.13 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' VAL . 49.8 mt-30 -53.0 -41.19 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.732 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.0 t80 -76.76 -45.53 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.695 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.4 mt -49.18 -56.43 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.64 -39.33 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 50' ' ' VAL . . . -63.0 -41.17 99.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.24 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -47.92 83.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.44 -39.22 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.555 ' CE1' HD13 ' A' ' 53' ' ' LEU . 4.2 t80 -53.61 -51.93 61.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.844 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 141.99 43.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 91' ' ' ILE . 41.0 t -99.46 148.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.037 HD12 ' OG1' ' A' ' 93' ' ' THR . 14.5 pt -76.53 179.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 6.36 44.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 1.037 ' OG1' HD12 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -110.56 -0.87 17.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.407 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.879 ' OD1' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -111.02 -18.35 13.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.7 mmm -75.46 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.695 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.2 p90 -108.31 177.32 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.5 mt-30 -98.95 138.73 35.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -42.76 -34.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -74.27 -43.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' GLN . 94.7 m-20 -48.66 -24.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -107.12 -71.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.857 ' OH ' HG22 ' A' ' 71' ' ' VAL . 24.7 t80 -40.17 -51.11 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -88.2 -18.55 28.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.94 34.27 76.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.98 -46.97 85.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -137.48 104.09 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -43.93 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.24 -36.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -72.48 -53.45 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.569 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 86.4 t -40.5 -29.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 109' ' ' ALA . 81.2 mt-30 -82.09 -52.36 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -38.21 -34.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 m -68.73 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.52 HD13 ' HG ' ' A' ' 14' ' ' LEU . 20.7 mt -47.88 -47.87 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.447 ' HE3' HD22 ' A' ' 10' ' ' LEU . 1.9 mtt -48.5 -26.43 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -91.92 -57.99 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.493 HD12 ' CD2' ' A' ' 88' ' ' TYR . 17.2 tp -40.54 -49.63 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -61.17 -67.73 1.99 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -39.25 -45.08 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.971 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.844 HD11 ' O ' ' A' ' 89' ' ' GLY . 6.1 mt -54.69 -50.1 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -66.11 -23.55 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.848 HG13 ' CB ' ' A' ' 133' ' ' PRO . 40.3 t -79.65 -67.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 52.9 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.848 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.94 -35.31 3.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.99 -21.72 8.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.737 ' HH2' HG11 ' A' ' 20' ' ' VAL . 33.9 m0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 107.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.32 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.65 -50.18 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.63 -52.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -58.28 5.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 18' ' ' ILE . 2.7 mp -42.21 -46.73 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.07 -61.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.697 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.9 mt-10 -43.43 -32.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.563 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.7 t90 -75.61 -58.23 3.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 14' ' ' LEU . 10.7 mt -49.35 -23.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 32.8 t -71.88 -53.15 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.738 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.2 m -69.12 -40.83 81.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.675 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.8 mm-40 -56.9 -67.73 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.2 -54.42 14.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.77 175.54 15.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -129.2 -46.45 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 45' ' ' ILE . 34.4 m -69.01 -30.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.23 -155.6 28.7 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -119.78 171.8 5.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.328 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.504 1.791 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -51.02 -37.09 43.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -51.22 68.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.18 -40.68 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 20.1 t90 -53.96 -38.71 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.829 ' O ' HD21 ' A' ' 101' ' ' LEU . 21.1 mt -110.23 43.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -105.28 -58.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -41.29 -54.04 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.41 -32.53 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.584 HG13 ' CG2' ' A' ' 63' ' ' VAL . 24.7 t -43.11 -42.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.401 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 10.3 mt -68.27 -48.63 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 101' ' ' LEU . 29.1 mt -56.4 -46.08 80.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.608 ' HB2' HG11 ' A' ' 61' ' ' VAL . 35.2 p -62.95 -35.71 81.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -67.18 -35.27 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 21' ' ' GLN . 16.1 tp -58.58 -71.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.496 HG22 ' CD1' ' A' ' 54' ' ' TYR . 7.2 p -43.72 -42.06 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.21 -59.26 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.38 -46.52 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.682 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 56.6 mt -61.21 -78.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 60' ' ' PRO . 24.8 m-85 -36.17 151.1 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.44 20.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.39 -39.71 95.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.5 44.58 3.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.64 -73.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 42.18 89.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -60.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.752 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.608 HG11 ' HB2' ' A' ' 47' ' ' SER . 45.2 t -78.44 166.97 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.511 ' N ' HG12 ' A' ' 61' ' ' VAL . 10.3 mttt -130.43 104.74 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.584 ' CG2' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -115.8 126.76 27.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.74 5.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.43 -34.78 76.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -112.4 159.45 33.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.505 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.93 139.5 24.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.763 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -75.02 -169.26 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.63 -157.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.95 166.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.555 HG22 ' OH ' ' A' ' 102' ' ' TYR . 39.5 t -84.77 -61.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -42.48 -48.62 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -62.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -42.64 -58.06 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.531 ' HE3' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -49.36 -49.33 44.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -50.85 58.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -39.82 -55.02 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 81' ' ' PHE . 55.1 t -60.94 -56.36 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.6 -50.72 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.453 ' HB3' HG13 ' A' ' 61' ' ' VAL . 70.7 mt-30 -49.7 -41.95 44.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.38 -45.87 44.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.83 HD21 ' CE1' ' A' ' 96' ' ' PHE . 31.9 mt -48.29 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -48.04 -41.99 27.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.46 89.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.75 -29.16 70.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.94 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -49.78 -44.07 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.682 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 7.4 t80 -45.3 -37.12 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.868 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 126.51 39.42 0.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.517 HG22 HD12 ' A' ' 120' ' ' LEU . 55.3 t -104.18 137.44 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.753 HD11 ' OD1' ' A' ' 94' ' ' ASP . 13.1 pt -67.89 -175.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -99.42 -15.96 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 93' ' ' THR . 0.7 OUTLIER -90.97 2.76 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.753 ' OD1' HD11 ' A' ' 91' ' ' ILE . 83.8 m-20 -110.59 -21.49 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.454 ' SD ' HG23 ' A' ' 113' ' ' THR . 55.3 mmm -77.28 168.43 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' A' ' 82' ' ' LEU . 46.0 p90 -129.88 178.94 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' ASP . 9.0 mt-30 -99.88 131.9 45.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' GLN . 5.9 m -37.06 -47.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.8 p -56.08 -52.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.522 ' N ' HG13 ' A' ' 99' ' ' VAL . 37.4 m-20 -40.0 -30.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.0 tp -99.94 -62.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.555 ' OH ' HG22 ' A' ' 71' ' ' VAL . 10.3 t80 -46.7 -57.52 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' HB2' HG22 ' A' ' 99' ' ' VAL . 51.1 mm-40 -98.2 23.28 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.69 35.53 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -23.3 31.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -175.8 113.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 46.6 mmm -85.65 -34.11 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.59 61.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.22 36.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' A' ' 96' ' ' PHE . 84.8 t -48.36 -26.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -83.15 -50.32 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -31.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.454 HG23 ' SD ' ' A' ' 95' ' ' MET . 34.5 m -67.97 -62.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mt -46.28 -49.58 17.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.407 ' SD ' HD11 ' A' ' 14' ' ' LEU . 86.2 mmm -50.76 -35.48 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.7 -49.18 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.5 tp -50.39 -49.16 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.12 -60.21 9.46 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 t -43.79 -49.2 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.868 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.4 mt -49.24 -39.98 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -75.19 -33.63 61.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 56.7 t -61.04 -37.49 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -44.04 -27.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.738 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.2 m0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.998 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -71.63 -42.64 67.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -61.54 -53.95 49.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 2.5 mm-40 -38.71 -44.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -54.59 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD11 HD11 ' A' ' 10' ' ' LEU . 72.0 mt -44.17 -60.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 19' ' ' VAL . 57.7 t -56.44 -51.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 20' ' ' VAL . 4.5 mm-40 -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.474 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 22.7 t90 -84.24 -61.07 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mt -47.55 -24.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 15' ' ' VAL . 38.3 t -69.74 -53.66 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.739 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -68.22 -40.08 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.7 mm-40 -59.11 -69.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.96 -54.42 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.99 -179.76 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.67 3.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 -51.19 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.5 m -64.02 -30.32 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.04 -151.03 21.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -133.64 158.69 74.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' TRP . 31.5 t80 -49.8 -58.36 5.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.45 -67.12 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.4 t -40.56 -43.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -51.45 -51.8 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.763 ' O ' HD21 ' A' ' 101' ' ' LEU . 5.1 mt -106.96 48.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -100.36 -64.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -51.58 -51.1 58.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 104.4 11.32 31.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.52 1.138 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.515 HG13 HG23 ' A' ' 63' ' ' VAL . 41.4 t -77.12 -56.86 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.61 -40.8 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 40' ' ' LEU . 14.1 mt -53.75 -51.31 63.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.4 m -56.58 -46.02 81.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' HG21 ' A' ' 63' ' ' VAL . 31.4 mttm -54.28 -38.8 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 21' ' ' GLN . 22.4 tp -58.0 -70.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.9 p -46.81 -44.46 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' SER . 7.5 m-80 -59.3 -52.89 63.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASN . 10.6 p -39.13 -39.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' TYR . 28.3 mt -66.7 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.9 m-85 -36.55 154.78 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.48 -30.62 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.59 38.32 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.66 -71.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.23 88.4 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.99 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.663 HG13 ' HB3' ' A' ' 80' ' ' GLN . 48.7 t -100.26 159.38 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -120.68 98.5 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 44' ' ' VAL . 2.5 p -99.91 114.77 65.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -69.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -78.0 145.26 69.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.97 151.42 39.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -75.02 133.76 16.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -56.95 3.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.95 149.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.04 -65.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -38.51 -47.85 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.32 -57.1 14.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -48.25 -58.74 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 6.5 mmm -47.78 -46.01 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.76 -51.21 70.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -39.16 -48.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 ' CA ' ' A' ' 43' ' ' GLY . 95.2 t -66.65 -51.55 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.27 -41.9 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HB3' HG13 ' A' ' 61' ' ' VAL . 36.7 mt-30 -56.55 -45.55 81.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -72.49 -42.31 65.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.741 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 42.9 mt -51.64 -61.73 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -53.89 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.22 99.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.49 -37.98 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -53.42 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.39 -39.87 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -53.64 -54.18 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.841 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 147.26 44.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 120' ' ' LEU . 62.7 t -103.61 138.76 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.575 HD12 ' HB ' ' A' ' 93' ' ' THR . 14.7 pt -74.19 174.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -92.89 3.57 55.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.575 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -102.37 -4.75 25.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.625 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -113.53 -13.34 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.5 mmm -82.4 147.22 28.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.741 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 20.1 p90 -116.51 179.2 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' ASP . 3.1 mt-30 -98.82 138.16 36.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.526 HG22 ' SD ' ' A' ' 75' ' ' MET . 17.7 m -37.56 -40.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.7 p -65.22 -52.59 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.527 ' N ' HG13 ' A' ' 99' ' ' VAL . 97.3 m-20 -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 40' ' ' LEU . 25.8 tp -98.06 -61.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 75' ' ' MET . 19.2 t80 -49.06 -56.39 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.661 ' HB2' HG22 ' A' ' 99' ' ' VAL . 50.4 mm-40 -89.15 11.9 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.13 42.78 0.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -68.52 -30.2 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.5 m-20 -143.65 107.56 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mmt -80.53 -36.52 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.05 97.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -61.31 -55.71 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 106' ' ' ASP . 93.5 t -39.82 -33.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -77.91 -51.72 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -33.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.7 m -73.82 -65.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.01 -43.51 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.6 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -48.09 -39.34 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.625 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -79.27 -52.13 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.7 tp -43.12 -60.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -51.22 -63.95 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -44.1 10.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.841 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.5 mt -54.54 -45.87 73.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.43 68.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' A' ' 133' ' ' PRO . 65.3 t -64.49 -39.92 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.418 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 11.7 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.413 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.04 -24.13 13.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -86.8 47.88 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.739 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.4 m0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -41.19 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -39.04 -55.45 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.47 -52.79 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -63.56 -56.78 13.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 111' ' ' GLN . 19.6 mt -41.52 -56.08 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG13 ' CH2' ' A' ' 39' ' ' TRP . 97.8 t -60.15 -51.41 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.672 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mm-40 -47.49 -26.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.503 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -82.73 -60.36 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -47.68 -24.75 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' GLY . 21.6 t -69.64 -56.11 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.702 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -64.94 -38.84 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.6 ' OE1' HD21 ' A' ' 53' ' ' LEU . 4.4 mm-40 -60.59 -71.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.14 -54.04 46.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.05 175.67 16.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -128.31 -44.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' HB ' HD11 ' A' ' 45' ' ' ILE . 30.1 m -72.18 -28.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.56 -156.59 29.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -120.96 167.98 11.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.562 ' CD ' HG11 ' A' ' 15' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -37.81 -58.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' HE1' ' A' ' 107' ' ' MET . 0.0 OUTLIER -43.76 -55.48 4.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -43.63 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.694 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.7 t90 -50.46 -38.15 42.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.798 ' O ' HD21 ' A' ' 101' ' ' LEU . 44.5 mt -111.7 44.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 50.9 tttt -108.55 -56.18 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -44.01 -41.32 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.61 -33.06 5.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.2 t -45.02 -49.56 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.453 HD11 ' HB ' ' A' ' 26' ' ' VAL . 7.5 mt -60.02 -41.75 87.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 HD21 ' A' ' 101' ' ' LEU . 39.0 mt -63.22 -49.86 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.689 ' HB2' HG11 ' A' ' 61' ' ' VAL . 59.9 p -59.29 -37.43 77.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.73 ' HE2' HG11 ' A' ' 63' ' ' VAL . 29.3 mttm -65.85 -32.3 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 21' ' ' GLN . 20.3 tp -63.08 -74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.6 p -41.62 -47.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.429 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -53.03 -58.65 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -40.52 -49.37 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD21 ' OE1' ' A' ' 21' ' ' GLN . 61.3 mt -55.02 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -39.12 138.57 0.85 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.4 Cg_endo -74.98 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.24 137.12 57.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.77 -9.94 58.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -100.85 -28.33 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -39.01 110.09 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 47' ' ' SER . 70.0 t -75.03 157.76 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -122.59 98.99 6.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.73 HG11 ' HE2' ' A' ' 48' ' ' LYS . 58.9 t -69.11 113.34 15.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.26 42.91 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.26 -56.82 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -98.95 157.97 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 73' ' ' LYS . 18.3 Cg_endo -74.98 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER 79.73 -58.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mtt -59.84 139.55 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.899 HG22 ' OH ' ' A' ' 102' ' ' TYR . 60.3 t -48.77 -74.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -38.89 -39.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -68.04 -61.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -44.41 -57.14 3.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.514 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 7.3 mmm -45.99 -42.83 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -48.22 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -42.13 -51.83 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.26 -49.41 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.96 -48.08 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -51.3 -41.83 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -75.82 -47.64 24.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.917 HD21 ' CE1' ' A' ' 96' ' ' PHE . 32.2 mt -46.38 -62.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -51.51 -41.23 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.19 -42.82 99.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -52.59 -43.79 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.94 71.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -47.6 -47.9 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.535 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 4.4 t80 -45.65 -33.44 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.809 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 124.23 39.38 0.48 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 HD12 ' A' ' 120' ' ' LEU . 44.8 t -105.27 136.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.64 HD12 ' HB ' ' A' ' 93' ' ' THR . 8.5 pt -73.69 169.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -87.96 6.57 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.64 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -103.24 -11.65 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.23 -14.7 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.441 ' HA ' HG23 ' A' ' 113' ' ' THR . 50.0 mmm -76.26 152.81 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.917 ' CE1' HD21 ' A' ' 82' ' ' LEU . 41.0 p90 -111.42 -179.89 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.8 mm-40 -103.3 128.62 50.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.2 m -36.8 -45.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.9 p -58.84 -52.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.536 ' N ' HG13 ' A' ' 99' ' ' VAL . 76.6 m-20 -41.21 -28.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.798 HD21 ' O ' ' A' ' 40' ' ' LEU . 11.3 tp -98.79 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.899 ' OH ' HG22 ' A' ' 71' ' ' VAL . 37.8 t80 -48.42 -53.96 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.553 ' HB2' HG22 ' A' ' 99' ' ' VAL . 5.7 mm-40 -97.54 18.77 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -52.41 -41.42 63.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 110' ' ' VAL . 2.0 t70 -150.34 100.61 2.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.494 ' HE1' ' HA ' ' A' ' 37' ' ' GLN . 1.5 mmt -67.92 -39.76 83.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -58.03 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -47.01 -60.53 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 110' ' ' VAL . 25.6 t -39.29 -41.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 58.8 mt-30 -74.16 -49.56 23.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -30.64 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 95' ' ' MET . 42.0 m -77.35 -61.26 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.95 -46.67 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.451 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -44.41 -40.03 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 117' ' ' LEU . . . -80.25 -53.27 6.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 116' ' ' ALA . 22.8 tp -40.38 -47.66 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.3 -66.35 2.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 t -43.03 -46.65 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.809 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.2 mt -52.67 -42.26 64.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -71.61 -32.09 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.37 -52.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.13 16.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -87.27 46.78 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.702 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.7 m0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -65.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.92 -59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -41.56 -49.57 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -57.37 7.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.1 mt -41.28 -55.82 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.699 HG13 ' CH2' ' A' ' 39' ' ' TRP . 60.4 t -59.17 -49.93 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.656 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mm-40 -49.96 -25.57 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.554 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 25.9 t90 -83.5 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG23 ' SG ' ' A' ' 22' ' ' CYS . 11.2 mt -42.67 -29.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 15' ' ' VAL . 20.7 t -64.29 -55.2 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.754 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -66.94 -44.92 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.727 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.4 mm-40 -57.01 -67.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.421 ' SG ' HG23 ' A' ' 18' ' ' ILE . 71.1 m -63.38 -54.06 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 115.47 176.21 18.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.42 3.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.13 -47.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.5 -32.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.42 -141.73 16.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -128.85 165.82 29.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -41.76 -51.55 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HA ' ' HE1' ' A' ' 107' ' ' MET . 0.0 OUTLIER -42.75 -64.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.3 -47.09 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.699 ' CH2' HG13 ' A' ' 15' ' ' VAL . 2.8 t90 -43.48 -46.0 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.825 ' O ' HD11 ' A' ' 101' ' ' LEU . 13.8 mt -111.8 53.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -107.36 -65.86 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -41.57 -49.6 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.65 -20.97 24.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 67' ' ' PRO . 54.0 t -51.88 -49.69 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mt -60.83 -37.87 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.741 HD22 ' CE2' ' A' ' 81' ' ' PHE . 33.4 mt -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' HG11 ' A' ' 61' ' ' VAL . 95.6 p -64.5 -40.86 96.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE2' ' CG1' ' A' ' 63' ' ' VAL . 26.2 mttm -62.08 -33.16 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.727 HD12 ' HB3' ' A' ' 21' ' ' GLN . 29.7 tp -60.5 -74.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 54' ' ' TYR . 10.3 p -42.41 -45.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' SER . 1.0 OUTLIER -50.67 -59.93 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -38.45 -47.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.484 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 30.4 mt -59.6 -82.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 41.8 m-85 -37.18 149.88 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -172.85 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 8.6 pt-20 -81.86 -26.55 34.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.49 17.35 34.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -71.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 41.75 89.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.573 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.06 -61.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.473 HG11 ' HB2' ' A' ' 47' ' ' SER . 57.8 t -84.16 157.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.53 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.449 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 67.2 t -81.06 114.21 47.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -173.42 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.87 -56.35 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -129.54 153.23 80.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HB3' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 136.37 20.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.432 1.754 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.99 -177.99 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.44 -40.31 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.71 163.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 ' OH ' ' A' ' 102' ' ' TYR . 85.2 t -82.63 -63.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -38.89 -47.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -61.2 -65.32 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -44.4 -56.96 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -51.57 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.46 -54.2 48.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -39.82 -46.75 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' PHE . 78.5 t -65.41 -57.96 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.53 -46.61 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -52.08 -45.95 65.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.741 ' CE2' HD22 ' A' ' 46' ' ' LEU . 1.2 t80 -70.52 -46.86 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.718 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.8 mt -46.31 -53.5 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -59.12 -40.74 86.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 50' ' ' VAL . . . -62.72 -40.84 98.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.8 -54.47 46.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.22 -35.11 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -59.44 -46.59 88.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 120' ' ' LEU . 1.5 t80 -49.66 -55.39 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.785 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 152.08 43.07 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.33 135.23 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.903 HD12 ' OG1' ' A' ' 93' ' ' THR . 25.8 pt -58.91 174.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -91.7 -10.48 40.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.903 ' OG1' HD12 ' A' ' 91' ' ' ILE . 67.7 p -97.08 4.07 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.608 ' OD1' HD11 ' A' ' 91' ' ' ILE . 61.9 m-20 -108.31 -21.98 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.12 129.27 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 13.1 p90 -107.08 179.01 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.7 mt-30 -95.61 133.94 39.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.4 m -38.61 -42.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.604 HG22 ' HB2' ' A' ' 103' ' ' GLU . 7.4 p -62.62 -52.18 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.521 ' N ' HG13 ' A' ' 99' ' ' VAL . 73.9 m-20 -38.33 -32.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.825 HD11 ' O ' ' A' ' 40' ' ' LEU . 14.7 tp -101.03 -65.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.515 ' OH ' HG22 ' A' ' 71' ' ' VAL . 29.0 t80 -42.01 -49.49 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.604 ' HB2' HG22 ' A' ' 99' ' ' VAL . 72.0 mm-40 -104.68 23.77 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 34.68 35.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -57.51 -44.3 84.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 110' ' ' VAL . 52.0 m-20 -143.75 97.59 3.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -69.11 -38.67 79.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.81 -41.0 31.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -67.52 -54.46 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.581 HG22 ' HB2' ' A' ' 101' ' ' LEU . 57.8 t -39.55 -34.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -75.04 -52.53 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -35.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.4 m -72.27 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -28.22 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.525 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -85.58 -55.1 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.421 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -46.26 -60.52 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.554 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -48.14 -67.69 1.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -44.87 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.785 HD11 ' C ' ' A' ' 89' ' ' GLY . 1.3 mt -53.43 -47.27 69.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.29 93.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.3 t -64.58 -50.11 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.515 ' HB2' ' CE2' ' A' ' 135' ' ' TRP . 1.5 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.47 8.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.754 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.4 m0 . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.59 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.6 OUTLIER -49.13 -68.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.49 -57.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.11 -49.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 13.4 ttm105 -67.61 -56.76 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -40.14 -52.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' CH2' ' A' ' 39' ' ' TRP . 60.7 t -65.77 -61.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mt-10 -38.6 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.448 ' C ' ' N ' ' A' ' 19' ' ' VAL . 12.6 t90 -76.26 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 14' ' ' LEU . 6.7 mt -42.37 -27.8 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' TRP . 7.9 t -62.22 -53.73 43.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -65.89 -50.45 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -51.79 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.45 -53.88 50.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 110.08 178.29 20.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.44 3.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.81 -47.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' HD11 ' A' ' 45' ' ' ILE . 34.7 m -69.33 -32.59 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.58 -129.58 9.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -163.01 169.01 9.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -42.38 -60.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -45.49 -49.85 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.25 -42.84 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 15' ' ' VAL . 12.9 t90 -53.23 -44.02 67.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 107.999 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.769 ' O ' HD21 ' A' ' 101' ' ' LEU . 79.3 mt -106.91 42.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -104.35 -57.46 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -40.24 -54.29 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.06 -31.87 7.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.527 HG11 ' O ' ' A' ' 65' ' ' GLU . 46.9 t -49.86 -45.75 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.401 HD11 ' HB ' ' A' ' 26' ' ' VAL . 7.8 mt -60.07 -49.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.636 HD11 HD21 ' A' ' 101' ' ' LEU . 33.0 mt -53.29 -48.92 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -60.22 -40.99 92.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HD2' HG12 ' A' ' 44' ' ' VAL . 8.1 mttm -61.87 -35.23 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 21' ' ' GLN . 22.7 tp -58.43 -74.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 51' ' ' ASN . 3.3 p -45.32 -46.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 50' ' ' VAL . 8.6 m-80 -56.58 -52.98 62.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -50.5 -53.1 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' TYR . 46.9 mt -50.27 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 20.3 m-85 -36.06 145.93 0.22 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -57.73 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.95 40.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.85 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.02 101.15 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.06 -43.25 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 81' ' ' PHE . 93.2 t -93.22 152.58 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -115.26 102.1 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.81 HG22 ' H ' ' A' ' 65' ' ' GLU . 3.4 p -106.91 125.62 32.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -75.03 4.12 5.04 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.81 ' H ' HG22 ' A' ' 63' ' ' VAL . 1.4 tt0 79.7 -71.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.06 132.54 82.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.01 145.05 30.93 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.02 -88.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.74 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtt -42.38 156.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.594 HG13 ' CE2' ' A' ' 102' ' ' TYR . 36.9 t -79.27 -53.01 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -45.37 -53.57 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -55.52 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -40.06 -52.13 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -54.86 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.32 -48.34 46.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -41.22 -52.77 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -57.98 -51.85 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.47 -50.57 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -49.63 -40.51 39.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.566 ' HA ' HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -75.33 -45.16 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 25.8 mt -50.3 -52.77 33.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.97 -32.23 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.6 -38.32 67.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 86' ' ' GLU . . . -54.59 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -34.91 -48.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -56.73 10.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 7.8 t80 -41.5 -36.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.481 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 147.56 -18.39 1.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 94' ' ' ASP . 83.9 t -44.11 153.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.671 HD12 ' OG1' ' A' ' 93' ' ' THR . 8.6 pt -103.15 -170.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -99.2 -9.57 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.671 ' OG1' HD12 ' A' ' 91' ' ' ILE . 11.5 p -83.89 -20.6 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.462 ' CG ' HG13 ' A' ' 90' ' ' VAL . 6.8 p30 -102.84 -13.36 17.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.42 145.2 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 12.0 p90 -122.64 175.5 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -96.72 137.82 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -43.13 -37.3 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -68.3 -46.82 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 81.9 m-20 -44.52 -27.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 40' ' ' LEU . 20.9 tp -104.84 -63.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.594 ' CE2' HG13 ' A' ' 71' ' ' VAL . 16.7 t80 -50.44 -56.81 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.04 10.21 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.08 46.66 1.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -72.67 -42.6 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -150.46 108.55 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 43.3 mmm -83.15 -36.16 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.84 -33.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 -49.65 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 101' ' ' LEU . 54.4 t -42.45 -31.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.443 ' HG2' ' CD2' ' A' ' 14' ' ' LEU . 72.3 mt-30 -76.56 -52.63 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.33 -34.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.441 HG21 ' CE2' ' A' ' 96' ' ' PHE . 1.6 m -69.06 -55.71 9.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.415 HD13 ' HG ' ' A' ' 14' ' ' LEU . 16.5 mt -58.99 -51.34 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.59 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.43 -33.43 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.42 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 117' ' ' LEU . 13.0 tp -47.17 -62.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -44.87 -67.58 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 -46.47 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.481 HD11 ' C ' ' A' ' 89' ' ' GLY . 3.1 mt -54.59 -45.45 73.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.37 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.712 HG13 ' CB ' ' A' ' 133' ' ' PRO . 54.0 t -68.92 -40.55 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.712 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -54.22 -20.62 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.704 ' HH2' HG11 ' A' ' 20' ' ' VAL . 28.3 m0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 108.027 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.63 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -78.11 -44.88 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.96 -50.68 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -41.0 -47.98 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -60.93 -53.41 57.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.714 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -40.47 -55.87 2.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.836 HG13 ' CH2' ' A' ' 39' ' ' TRP . 43.2 t -62.71 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.724 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.3 mt-10 -41.96 -31.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 18.3 t90 -78.06 -65.51 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mt -43.71 -27.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLY . 24.5 t -66.81 -54.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.764 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.2 m -66.5 -37.76 80.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.551 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.5 mm-40 -61.58 -70.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.4 m -63.92 -53.8 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.31 179.1 16.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.37 3.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.81 -52.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.9 m -63.84 -33.63 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.45 -149.26 20.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -129.61 169.05 14.19 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 59.6 t80 -53.39 -42.49 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -50.29 -58.85 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.94 -44.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.836 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.2 t90 -46.82 -39.3 11.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.775 ' O ' HD11 ' A' ' 101' ' ' LEU . 50.8 mt -112.32 47.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -109.48 -58.13 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -40.3 -58.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.44 -34.8 4.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.712 HG13 ' CG2' ' A' ' 63' ' ' VAL . 79.1 t -46.64 -45.26 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.72 -57.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.536 HD11 HD21 ' A' ' 101' ' ' LEU . 27.9 mt -50.51 -42.39 54.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.437 ' HB2' HG11 ' A' ' 61' ' ' VAL . 83.1 p -66.95 -40.0 87.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -62.43 -35.39 79.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 21' ' ' GLN . 22.0 tp -59.79 -71.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -45.43 -46.04 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.05 -53.16 59.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.1 p -39.75 -46.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.59 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 35.2 m-85 -43.86 134.03 3.95 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.2 25.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -50.91 133.22 27.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.71 -30.31 7.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.55 -16.05 50.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.09 101.57 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -70.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.493 HG21 ' HA ' ' A' ' 81' ' ' PHE . 67.6 t -56.39 158.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -117.56 103.32 9.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.712 ' CG2' HG13 ' A' ' 44' ' ' VAL . 1.3 p -117.32 118.95 35.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.76 -50.88 71.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -98.36 145.97 30.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.07 144.24 29.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.97 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.11 -47.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.12 146.03 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.87 -71.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -40.17 -32.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -65.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -48.41 -54.7 13.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -42.71 39.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.3 -43.08 82.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -46.4 -49.77 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.24 -53.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.08 -49.29 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.401 ' HB3' HG13 ' A' ' 61' ' ' VAL . 72.2 mt-30 -50.64 -44.64 57.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.493 ' HA ' HG21 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -72.48 -45.72 58.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.498 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -48.24 -54.0 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -60.42 -39.62 88.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.7 95.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.73 -29.61 70.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -51.91 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -35.56 51.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.8 -50.29 63.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.886 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 142.13 43.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.458 HG22 HD12 ' A' ' 120' ' ' LEU . 79.5 t -106.94 133.58 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.68 HD11 ' OD1' ' A' ' 94' ' ' ASP . 29.2 pt -58.39 -172.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -108.07 -2.58 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.625 ' OG1' HD12 ' A' ' 91' ' ' ILE . 13.0 p -104.83 3.18 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.68 ' OD1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.44 -14.95 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.42 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 66.6 mmm -84.98 158.93 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 47.5 p90 -125.44 175.45 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -94.43 136.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 9.9 m -36.72 -50.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.8 p -55.1 -53.05 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.527 ' N ' HG13 ' A' ' 99' ' ' VAL . 20.7 m-20 -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.775 HD11 ' O ' ' A' ' 40' ' ' LEU . 19.4 tp -99.51 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.01 -54.96 5.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HB2' HG22 ' A' ' 99' ' ' VAL . 39.6 mm-40 -100.08 22.63 11.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.57 35.86 0.23 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -28.53 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.41 100.1 1.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -40.47 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.58 -29.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -77.78 -50.6 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 60.6 t -40.84 -29.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.446 ' N ' ' C ' ' A' ' 109' ' ' ALA . 84.6 mt-30 -76.61 -54.37 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -37.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.7 m -64.8 -65.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 14' ' ' LEU . 6.2 mt -50.12 -53.54 26.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.63 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.76 -26.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.483 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -93.11 -57.52 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.3 tp -42.31 -62.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.564 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -44.5 -64.78 1.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -41.25 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.886 HD11 ' O ' ' A' ' 89' ' ' GLY . 4.2 mt -62.11 -48.6 79.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.69 81.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 133' ' ' PRO . 53.0 t -70.78 -51.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.406 ' HB3' HG13 ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -44.47 -27.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.764 ' HH2' HG11 ' A' ' 20' ' ' VAL . 37.1 m0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.064 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -61.51 1.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -61.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -41.36 -55.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -61.75 -54.53 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 mt -41.06 -54.37 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.921 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 47.0 t -61.14 -50.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.708 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.3 mm-40 -44.64 -26.7 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.498 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -81.65 -59.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mt -48.78 -23.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 38.9 t -71.32 -53.45 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.13 -38.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.788 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.0 mm-40 -64.22 -71.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.7 m -61.18 -53.48 56.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.79 176.96 20.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.02 -45.6 1.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.15 -30.04 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.14 -143.86 16.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.454 1.097 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -141.74 170.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -52.35 -44.41 65.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -49.83 72.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.31 -36.34 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.921 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 3.2 t90 -54.53 -38.05 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.817 ' O ' HD11 ' A' ' 101' ' ' LEU . 26.1 mt -112.52 43.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 41.0 tttt -108.52 -59.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -40.5 -51.42 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.83 -29.5 11.2 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 68' ' ' PRO . 40.1 t -45.56 -55.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 48' ' ' LYS . 6.1 mt -55.91 -58.3 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 81' ' ' PHE . 25.3 mt -49.1 -41.54 36.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.428 ' HB3' HG11 ' A' ' 61' ' ' VAL . 63.9 m -66.17 -28.74 69.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.748 ' HE2' HG11 ' A' ' 63' ' ' VAL . 35.4 mttm -76.92 -37.96 54.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HB3' ' A' ' 21' ' ' GLN . 14.4 tp -58.81 -71.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 51' ' ' ASN . 14.0 p -41.74 -47.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 50' ' ' VAL . 2.9 m-20 -58.5 -53.49 57.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -43.14 -40.59 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.788 HD21 ' OE1' ' A' ' 21' ' ' GLN . 40.3 mt -65.54 -80.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.557 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.1 m-85 -36.49 152.97 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.3 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 7.0 pt-20 -91.27 -23.29 20.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.81 19.72 28.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -130.98 -69.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 mptm? 42.22 85.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -75.0 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.767 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -89.49 165.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.363 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.494 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -130.7 98.79 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.748 HG11 ' HE2' ' A' ' 48' ' ' LYS . 50.1 t -73.08 113.96 26.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -48.68 -48.54 39.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -98.6 152.89 38.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.03 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.2 OUTLIER 84.6 -63.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.3 mtt -56.43 153.2 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.41 -69.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -44.36 -40.94 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 34.1 mmtt -68.1 -59.77 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -48.81 -54.23 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.33 -49.22 64.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.23 -51.14 70.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -42.56 -47.98 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.12 -50.6 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.62 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -49.56 -41.79 42.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.558 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.94 -46.29 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.833 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 37.5 mt -49.72 -62.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -53.09 -40.47 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.95 97.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.66 68.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -55.2 37.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' TYR . 6.5 m-20 -45.05 -54.33 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 6.2 t80 -37.03 -35.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.421 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 141.93 -14.31 2.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' OD2' ' A' ' 94' ' ' ASP . 76.7 t -48.93 150.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.692 HD12 ' OG1' ' A' ' 93' ' ' THR . 14.3 pt -96.46 -171.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.16 0.56 34.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.692 ' OG1' HD12 ' A' ' 91' ' ' ILE . 8.4 p -100.26 -12.49 19.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.556 ' OD2' HG13 ' A' ' 90' ' ' VAL . 14.4 p30 -108.57 -12.6 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 56.9 mmm -81.28 146.46 30.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.833 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.5 p90 -110.86 -176.65 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' ASP . 8.9 mt-30 -100.91 134.22 44.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.0 m -38.62 -38.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 100' ' ' ASP . 6.5 p -67.45 -52.1 45.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.508 ' N ' HG13 ' A' ' 99' ' ' VAL . 84.5 m-20 -40.48 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 40' ' ' LEU . 10.8 tp -100.47 -63.36 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.434 ' CE1' ' HE3' ' A' ' 41' ' ' LYS . 22.5 t80 -42.44 -56.56 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' LYS . 2.2 mm-40 -99.9 21.58 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.99 29.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.2 mmtt -49.83 -28.65 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -160.41 100.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.92 -45.84 69.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.56 -48.45 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -58.24 -57.07 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.56 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 64.7 t -39.66 -34.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -79.05 -50.5 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -43.54 -32.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -71.72 -66.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.5 mt -47.21 -47.53 24.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -35.03 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.59 -46.67 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 117' ' ' LEU . 13.9 tp -46.16 -58.72 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -56.57 -59.73 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.98 -41.45 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -55.98 -46.92 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -70.18 -31.07 68.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 133' ' ' PRO . 60.0 t -62.79 -42.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 4.6 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.444 ' O ' HG22 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.0 -22.83 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -87.78 45.16 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.608 ' HH2' HG11 ' A' ' 20' ' ' VAL . 16.3 m0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 108.005 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.5 OUTLIER -42.38 -64.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 4.3 tt0 -38.75 -56.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.35 -51.39 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -66.87 -54.71 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 18' ' ' ILE . 48.7 mt -41.36 -55.45 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.587 HG13 ' CH2' ' A' ' 39' ' ' TRP . 87.3 t -59.8 -50.98 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mm-40 -45.24 -26.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.677 ' CZ3' HD21 ' A' ' 49' ' ' LEU . 18.2 t90 -85.35 -68.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.0 mt -40.95 -27.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' N ' ' C ' ' A' ' 17' ' ' TRP . 10.1 t -65.81 -56.46 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.732 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.4 m -60.49 -46.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 1.7 mm-40 -55.53 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' HG23 ' A' ' 45' ' ' ILE . 44.6 m -55.0 -52.61 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 112.22 176.88 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.59 3.68 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.69 -45.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 m -70.5 -32.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.85 -139.95 14.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -142.44 162.36 45.23 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 36.2 t80 -48.38 -55.26 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -42.41 -68.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -40.46 -43.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CH2' HG13 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -52.83 -52.22 57.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.707 ' O ' HD21 ' A' ' 101' ' ' LEU . 11.8 mt -106.0 47.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -99.12 -62.94 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -53.92 -49.57 68.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -17.33 31.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 67' ' ' PRO . 34.7 t -47.05 -60.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.565 HG23 ' SG ' ' A' ' 22' ' ' CYS . 68.9 mt -54.7 -47.23 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 40' ' ' LEU . 18.5 mt -52.01 -42.93 63.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.555 ' OG ' HG11 ' A' ' 61' ' ' VAL . 34.9 m -66.52 -36.14 81.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HE2' HG11 ' A' ' 63' ' ' VAL . 18.4 mttm -62.93 -34.39 77.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.677 HD21 ' CZ3' ' A' ' 17' ' ' TRP . 20.8 tp -63.48 -70.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 51' ' ' ASN . 10.9 p -44.12 -48.41 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.0 m-80 -52.33 -56.18 16.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 p -43.05 -49.44 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 65.9 mt -54.18 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 60' ' ' PRO . 26.3 m-85 -35.75 143.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 168.7 24.25 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 139.2 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.29 -38.65 3.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -88.45 45.53 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.951 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.41 114.15 51.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 -59.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG11 ' OG ' ' A' ' 47' ' ' SER . 91.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -112.53 106.09 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG11 ' HE2' ' A' ' 48' ' ' LYS . 88.6 t -72.27 117.21 56.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.04 32.16 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.94 -66.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -110.81 157.39 38.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.06 141.3 26.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.94 173.59 14.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.67 -48.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.2 mmt -42.46 160.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 ' OH ' ' A' ' 102' ' ' TYR . 76.6 t -73.2 -68.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.88 -47.0 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -63.5 -67.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.6 -52.85 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.406 ' CE ' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -53.66 -55.32 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -43.62 -48.36 7.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 82' ' ' LEU . 97.2 t -64.22 -51.62 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.15 -42.62 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.1 -46.1 79.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 46' ' ' LEU . 9.2 t80 -72.11 -43.03 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.8 mt -52.17 -62.96 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -53.99 -38.46 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.44 96.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -57.21 -49.6 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -47.59 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.08 -41.06 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.44 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 2.9 t80 -53.61 -52.48 59.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.838 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 146.09 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -104.33 131.02 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.745 HD12 ' OG1' ' A' ' 93' ' ' THR . 27.5 pt -56.97 -171.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -3.74 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.745 ' OG1' HD12 ' A' ' 91' ' ' ILE . 79.2 p -102.55 1.12 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -112.04 -13.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.47 139.53 32.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 26.4 p90 -106.82 174.1 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.2 mt-30 -92.64 136.81 32.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -38.85 -37.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.9 p -68.4 -52.42 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 99' ' ' VAL . 94.5 m-20 -39.41 -30.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.707 HD21 ' O ' ' A' ' 40' ' ' LEU . 21.9 tp -100.59 -64.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.672 ' OH ' HG22 ' A' ' 71' ' ' VAL . 25.5 t80 -44.58 -53.1 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.642 ' HB2' HG22 ' A' ' 99' ' ' VAL . 10.9 mm-40 -97.65 20.12 12.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.81 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.4 mtpt -59.7 -31.68 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -150.74 111.39 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.29 -52.99 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.58 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -64.69 -56.13 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 101' ' ' LEU . 48.9 t -40.07 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 96.3 mt-30 -80.48 -52.82 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -34.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 m -70.48 -66.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.4 mt -48.68 -47.55 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.471 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -41.91 -37.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.24 -56.34 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 88' ' ' TYR . 15.0 tp -41.65 -55.83 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -53.29 -66.09 2.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -45.42 -44.62 12.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.8 mt -55.74 -50.64 69.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.62 -50.91 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 14.5 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.35 7.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -82.31 52.43 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.732 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.4 m0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.989 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.26 -59.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.25 -62.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.81 -50.48 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.55 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -42.56 -56.91 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.9 t -57.83 -54.57 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 20' ' ' VAL . 6.1 mt-10 -44.36 -29.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.2 t90 -81.24 -53.46 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.04 -19.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 15' ' ' VAL . 71.5 t -77.03 -51.26 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.742 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -68.05 -40.78 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.675 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.8 mm-40 -60.74 -69.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.87 -53.81 44.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.96 175.11 17.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.22 4.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.41 -46.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -70.74 -31.7 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.27 -142.96 16.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -125.04 172.28 6.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.587 ' HG3' HG21 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -37.88 -56.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.757 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG2' HD12 ' A' ' 101' ' ' LEU . 1.8 tm0? -46.62 -48.14 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.13 -45.92 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.619 ' CH2' HG13 ' A' ' 15' ' ' VAL . 10.5 t90 -48.82 -36.98 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.812 ' O ' HD11 ' A' ' 101' ' ' LEU . 13.7 mt -112.42 49.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -107.61 -57.03 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -41.27 -55.81 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.99 -37.48 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.854 HG13 ' CG2' ' A' ' 63' ' ' VAL . 77.6 t -43.12 -50.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.796 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.4 mt -57.49 -58.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 46' ' ' LEU . 23.9 mt -50.68 -50.71 54.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -57.23 -37.16 71.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HG3' HG21 ' A' ' 63' ' ' VAL . 23.0 mttm -64.29 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.651 HD12 ' HB3' ' A' ' 21' ' ' GLN . 24.2 tp -57.48 -73.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 51' ' ' ASN . 14.2 p -43.91 -47.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.8 m-80 -53.96 -54.99 31.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -45.52 -41.86 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.937 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD21 ' OE1' ' A' ' 21' ' ' GLN . 84.2 mt -60.62 -85.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 58.9 m-85 -36.34 153.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.26 39.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 3.9 pt-20 -57.17 -37.18 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.19 37.69 3.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -174.31 44.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.4 mptm? -75.32 113.88 30.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.576 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.02 -69.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 80' ' ' GLN . 46.7 t -81.78 163.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 61' ' ' VAL . 49.5 mttt -125.07 99.77 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.854 ' CG2' HG13 ' A' ' 44' ' ' VAL . 2.5 p -98.51 114.32 65.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.87 -57.52 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -84.83 145.76 44.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.02 147.77 34.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HD3' ' CG2' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 139.15 23.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.91 -51.08 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.53 132.67 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.713 HG13 ' OH ' ' A' ' 102' ' ' TYR . 72.6 t -54.01 -61.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -39.11 -54.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.07 -65.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -39.77 -61.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.5 mtp -44.57 -45.23 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -50.54 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.562 ' OE1' HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.95 -45.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' PHE . 89.2 t -69.18 -56.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.53 -45.19 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.466 ' CB ' HG13 ' A' ' 61' ' ' VAL . 69.9 mt-30 -53.23 -45.51 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.5 t80 -71.08 -45.76 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.039 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.7 mt -47.56 -59.15 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -57.55 -40.08 78.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.36 84.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -65.63 -49.64 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.14 -45.3 61.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -45.37 78.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.523 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.8 t80 -42.53 -30.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.821 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 120.83 36.08 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.0 t -91.87 157.54 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 93' ' ' THR . 38.2 pt -76.04 -175.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.79 -5.79 17.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 91' ' ' ILE . 12.0 p -99.63 1.2 43.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.637 ' OD1' HD11 ' A' ' 91' ' ' ILE . 6.2 m-20 -109.23 -21.4 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.99 142.75 58.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 1.039 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 38.3 p90 -116.17 174.52 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.45 141.82 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 m -47.33 -35.75 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -69.17 -45.71 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.421 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 70.3 m-20 -44.37 -27.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 ' O ' ' A' ' 40' ' ' LEU . 35.9 tp -104.66 -61.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.713 ' OH ' HG13 ' A' ' 71' ' ' VAL . 9.7 t80 -47.08 -53.38 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLY . 2.8 mm-40 -99.17 18.37 17.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.23 42.79 0.89 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -71.52 -31.29 66.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -153.13 90.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 107' ' ' MET . 0.7 OUTLIER -74.04 -45.39 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 107' ' ' MET . . . -47.44 -37.76 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -67.79 -52.9 31.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 51.6 t -39.4 -37.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' ARG . 45.1 mt-30 -69.51 -51.59 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' ALA . 1.7 ttm180 -38.29 -34.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.443 HG21 ' HE1' ' A' ' 96' ' ' PHE . 1.3 m -75.38 -56.73 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.4 mt -52.22 -50.69 61.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -40.8 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.69 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 88' ' ' TYR . 20.4 tp -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -61.39 -65.37 3.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -48.94 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.821 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.5 mt -53.72 -48.42 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -68.32 -22.2 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 118' ' ' GLY . 60.3 t -78.65 -58.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.674 ' HB2' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.95 -34.45 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -51.17 -22.72 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.742 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.8 m0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.692 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -85.61 -48.83 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 5.1 tt0 -57.15 -45.91 83.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 1.6 mm-40 -38.6 -50.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -56.66 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -40.84 -54.25 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.712 HG13 ' CH2' ' A' ' 39' ' ' TRP . 22.0 t -66.39 -62.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.713 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.4 mt-10 -41.02 -34.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.5 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 19.8 t90 -74.43 -61.39 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 14' ' ' LEU . 8.6 mt -45.77 -27.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 47.9 t -68.51 -53.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.1 m -69.79 -36.38 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.592 ' HB3' HD12 ' A' ' 49' ' ' LEU . 3.2 mm-40 -65.22 -68.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.8 -51.57 54.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 118.5 175.45 16.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.1 3.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -126.07 -51.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.9 m -64.3 -30.92 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.59 -149.35 21.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -130.65 170.68 10.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 40' ' ' LEU . 55.2 t80 -46.77 -50.32 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -48.56 -44.74 36.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.82 -35.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.712 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.3 t90 -54.8 -44.7 74.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.825 ' O ' HD21 ' A' ' 101' ' ' LEU . 13.0 mt -107.68 43.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -103.2 -53.4 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 0.8 OUTLIER -47.0 -55.23 8.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.05 -30.65 8.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -47.79 -45.4 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -54.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 81' ' ' PHE . 20.6 mt -50.2 -50.36 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.516 ' HB3' HG11 ' A' ' 61' ' ' VAL . 73.7 m -61.34 -34.82 75.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.05 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 52' ' ' SER . 18.8 mttm -67.42 -35.93 80.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 21' ' ' GLN . 30.8 tp -57.21 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.3 p -41.82 -49.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 50' ' ' VAL . 1.7 m-80 -46.22 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -41.64 -52.34 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.03 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 50' ' ' VAL . 34.4 mt -51.25 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 42.5 m-85 -45.81 136.32 6.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.1 Cg_endo -75.03 -176.17 2.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 1.6 mt-10 -63.02 136.04 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.97 -12.43 57.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' LYS . 6.8 t -98.71 -27.51 13.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -37.72 108.21 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.496 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 47' ' ' SER . 60.6 t -80.8 162.2 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.44 ' N ' HG12 ' A' ' 61' ' ' VAL . 7.0 mttm -131.86 97.08 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 t -64.33 112.28 7.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.72 34.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.12 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -87.6 129.12 52.11 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.77 37.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.08 -45.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -61.82 138.86 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.698 HG13 ' H ' ' A' ' 72' ' ' PHE . 0.9 OUTLIER -43.2 -70.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.698 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.1 m-85 -50.85 -20.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.3 mmtp -82.72 -70.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' MET . 69.4 mt-30 -50.68 -42.99 57.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -44.37 36.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.71 -42.51 88.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.562 HG11 HD23 ' A' ' 101' ' ' LEU . 38.8 t -72.73 -39.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.32 -49.1 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' HB3' HG22 ' A' ' 61' ' ' VAL . 77.0 mt-30 -51.25 -46.7 62.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.3 t80 -69.46 -43.4 73.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.9 mt -50.81 -54.77 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -59.62 -39.5 84.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.58 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -57.37 -46.13 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.35 -53.81 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 117' ' ' LEU . 3.0 t80 -52.71 -50.48 63.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.892 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 141.71 44.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.473 HG22 HD12 ' A' ' 120' ' ' LEU . 78.4 t -104.86 132.25 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.456 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 10.1 pt -56.11 -176.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.44 -1.45 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.8 p -103.99 -1.29 27.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.572 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -107.73 -18.04 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 59.3 mmm -80.52 139.14 36.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 54.2 p90 -103.02 176.72 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.2 mt-30 -96.87 135.33 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.0 m -36.92 -44.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.8 p -60.95 -52.57 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.522 ' N ' HG13 ' A' ' 99' ' ' VAL . 73.3 m-20 -41.12 -29.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.825 HD21 ' O ' ' A' ' 40' ' ' LEU . 16.7 tp -96.68 -63.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 6.6 t80 -46.96 -54.25 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.566 ' HB2' HG22 ' A' ' 99' ' ' VAL . 32.5 mm-40 -83.14 -17.57 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.95 27.92 73.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -59.29 -68.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.76 100.21 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.22 -46.2 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.32 -37.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 96' ' ' PHE . . . -67.92 -55.89 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . 78.0 t -40.58 -29.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 109' ' ' ALA . 77.6 mt-30 -84.3 -52.67 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -34.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.402 HG23 ' SD ' ' A' ' 95' ' ' MET . 27.7 m -67.72 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.414 ' CB ' ' HG ' ' A' ' 14' ' ' LEU . 17.0 mt -51.91 -45.45 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.692 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -47.19 -37.07 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.572 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -84.81 -48.94 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 88' ' ' TYR . 13.6 tp -45.82 -62.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.5 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.65 -61.01 6.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.51 -44.07 17.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.892 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.5 mt -52.27 -49.55 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.56 72.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.88 -46.75 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.9 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -81.74 53.17 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.699 ' HH2' HG11 ' A' ' 20' ' ' VAL . 10.8 m0 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.846 HD13 ' SD ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -47.56 -53.56 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' OE2' ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -66.04 -60.76 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 2.5 mt-10 -38.46 -48.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -53.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 18' ' ' ILE . 27.1 mt -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.756 HG13 ' CH2' ' A' ' 39' ' ' TRP . 61.1 t -59.93 -53.91 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.751 ' O ' HG13 ' A' ' 20' ' ' VAL . 13.7 mt-10 -46.31 -29.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.453 ' O ' HG22 ' A' ' 20' ' ' VAL . 5.9 t90 -78.72 -65.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.6 mt -45.18 -25.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 15' ' ' VAL . 25.6 t -69.23 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.59 -39.93 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.435 HE21 HD23 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -60.3 -71.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 77.1 m -62.63 -48.45 79.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.26 179.25 20.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.9 3.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.77 -45.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.76 -24.57 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.25 -140.33 17.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.147 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -148.34 165.26 18.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.516 ' CD ' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.457 ' CD2' ' OE2' ' A' ' 11' ' ' GLU . 41.4 t80 -52.86 -51.06 62.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HG3' ' HE3' ' A' ' 107' ' ' MET . 0.2 OUTLIER -47.4 -58.67 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 84.8 t -54.4 -43.05 61.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.756 ' CH2' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -49.91 -42.62 48.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.772 ' O ' HD11 ' A' ' 101' ' ' LEU . 55.4 mt -109.57 44.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 23.1 tttt -107.95 -58.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.1 -58.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.58 -38.77 2.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.639 HG22 ' OE1' ' A' ' 77' ' ' GLN . 48.3 t -42.29 -55.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mt -51.25 -61.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 29.1 mt -44.53 -52.04 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.8 m -57.47 -40.35 78.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.812 ' HG3' HG21 ' A' ' 63' ' ' VAL . 18.7 mttt -65.2 -34.78 79.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -74.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 51' ' ' ASN . 7.4 p -44.91 -48.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.469 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.6 m-80 -54.57 -55.22 31.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 p -46.96 -52.01 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 HE21 ' A' ' 21' ' ' GLN . 32.9 mt -53.66 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 10.7 m-85 -34.94 149.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 176.03 10.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.83 141.19 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -41.08 3.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.3 m -85.36 47.71 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -85.85 113.6 52.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.0 -61.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 81' ' ' PHE . 61.2 t -91.41 148.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 100.44 9.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.812 HG21 ' HG3' ' A' ' 48' ' ' LYS . 2.6 p -94.6 116.09 66.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.72 43.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.571 1.827 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.89 -58.16 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -77.51 133.6 67.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 149.72 37.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.1 Cg_endo -74.98 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.06 -58.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.4 mtt -46.14 148.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.8 t -58.52 -64.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -43.71 -42.28 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -63.52 -64.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -49.13 -52.74 24.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -50.92 56.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -57.05 -53.1 61.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.639 ' OE1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -38.84 -48.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.62 -55.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.53 -48.8 5.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HB3' HG13 ' A' ' 61' ' ' VAL . 35.7 mt-30 -50.95 -44.72 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.746 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -51.37 -60.91 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -54.78 -41.28 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.19 95.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -52.2 -49.51 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 89' ' ' GLY . 0.7 OUTLIER -47.98 -60.85 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -39.73 -50.77 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 6.0 t80 -41.84 -40.8 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . 149.22 -19.16 1.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.894 HG13 ' OD2' ' A' ' 94' ' ' ASP . 72.4 t -43.72 141.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.794 HD12 ' OG1' ' A' ' 93' ' ' THR . 31.3 pt -79.16 -168.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -10.56 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.794 ' OG1' HD12 ' A' ' 91' ' ' ILE . 33.0 p -93.45 -1.08 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.894 ' OD2' HG13 ' A' ' 90' ' ' VAL . 24.0 p-10 -112.43 -19.01 12.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.469 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 32.9 mmm -71.57 143.63 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.746 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 17.3 p90 -114.88 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.5 mt-30 -96.39 138.24 34.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' GLN . 53.4 m -38.42 -37.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 100' ' ' ASP . 6.0 p -66.67 -51.62 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.506 ' N ' HG13 ' A' ' 99' ' ' VAL . 92.5 m-20 -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 40' ' ' LEU . 19.7 tp -102.9 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 103' ' ' GLU . 23.9 t80 -41.05 -52.81 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 102' ' ' TYR . 40.8 mm-40 -107.61 28.2 8.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.67 33.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.456 ' CB ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -50.17 -26.12 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -170.01 101.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.413 ' HE3' ' HG3' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -73.97 -32.49 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.18 -47.6 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 111' ' ' GLN . . . -69.63 -51.45 34.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.571 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 78.5 t -39.5 -31.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 109' ' ' ALA . 31.6 mt-30 -80.53 -54.35 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.15 -36.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -67.9 -63.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.92 -51.83 64.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.846 ' SD ' HD13 ' A' ' 10' ' ' LEU . 59.9 mmm -45.23 -30.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.49 -42.41 16.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 117' ' ' LEU . 14.3 tp -52.99 -60.53 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.17 -65.7 2.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -42.81 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -66.07 -32.21 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.913 HG13 ' CB ' ' A' ' 133' ' ' PRO . 38.9 t -72.61 -46.9 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.913 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -74.97 -33.13 4.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -21.15 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.596 ' HH2' HG11 ' A' ' 20' ' ' VAL . 20.2 m0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -63.45 -52.13 62.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -51.33 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -41.07 -48.85 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -62.34 -54.11 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 10' ' ' LEU . 25.2 mt -40.89 -53.84 2.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.83 HG13 ' CH2' ' A' ' 39' ' ' TRP . 57.7 t -61.34 -53.35 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.769 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.3 mm-40 -43.32 -28.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 22.0 t90 -79.91 -64.55 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 mt -42.72 -27.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 42.9 t -69.2 -50.87 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -66.09 -38.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.693 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.9 mm-40 -66.56 -71.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -60.63 -52.64 64.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 116.87 178.51 17.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.97 3.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.31 -51.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 45' ' ' ILE . 15.4 m -63.23 -32.58 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.94 -148.43 25.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.31 172.86 3.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.546 ' HD3' HG11 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLN . 30.3 t80 -47.29 -60.76 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG2' HD12 ' A' ' 101' ' ' LEU . 1.2 tm0? -37.86 -58.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.01 -50.16 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.83 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.7 t90 -46.12 -38.24 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.817 ' O ' HD11 ' A' ' 101' ' ' LEU . 68.7 mt -113.02 52.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -111.22 -58.97 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -40.05 -52.99 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.66 -28.62 11.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.05 -57.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.405 HG23 HG11 ' A' ' 26' ' ' VAL . 40.8 mt -53.13 -51.21 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.612 HD11 HD21 ' A' ' 101' ' ' LEU . 33.3 mt -55.3 -45.31 76.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.581 ' HB2' HG11 ' A' ' 61' ' ' VAL . 26.0 p -61.9 -35.14 77.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HE2' HG11 ' A' ' 63' ' ' VAL . 22.6 mttm -66.12 -49.12 68.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 21' ' ' GLN . 18.3 tp -51.98 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 51' ' ' ASN . 11.2 p -40.95 -50.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.0 m-80 -51.6 -54.15 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 p -43.2 -49.94 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' OE1' ' A' ' 21' ' ' GLN . 76.3 mt -56.55 -66.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 21.7 m-85 -47.0 151.08 1.19 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -169.11 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.77 -34.16 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.46 40.7 3.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.56 -71.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 40.0 84.01 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -54.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.581 HG11 ' HB2' ' A' ' 47' ' ' SER . 49.0 t -94.23 162.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.448 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -112.97 132.54 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.575 HG11 ' HE2' ' A' ' 48' ' ' LYS . 21.3 t -112.79 109.07 53.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 179.78 5.74 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.42 -56.35 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -111.91 152.53 44.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 141.04 26.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.01 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 p -131.15 -45.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.82 160.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.0 -64.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -38.29 -51.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -68.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -41.23 -56.91 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 mtp -53.41 -52.74 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -53.62 30.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -40.15 -58.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.37 -57.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.71 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' HB3' HG22 ' A' ' 61' ' ' VAL . 44.6 mt-30 -49.44 -48.99 47.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -44.96 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.511 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.3 mt -49.07 -62.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -45.7 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.95 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -46.25 -51.9 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -56.22 21.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -41.8 -43.86 3.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.608 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 2.7 t80 -51.21 -52.42 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.868 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 144.84 42.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.1 t -103.42 137.63 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.42 ' CG1' ' OD2' ' A' ' 94' ' ' ASP . 6.5 pt -69.56 167.77 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -86.09 -1.01 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.61 -9.72 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' ' CG1' ' A' ' 91' ' ' ILE . 37.2 m-20 -102.19 -20.41 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 35.2 mmm -74.79 155.08 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 24.4 p90 -126.63 175.45 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.8 mt-30 -91.2 132.08 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -38.59 -37.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.565 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.8 p -69.2 -51.85 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.499 ' N ' HG13 ' A' ' 99' ' ' VAL . 85.1 m-20 -39.85 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 40' ' ' LEU . 23.1 tp -99.51 -64.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.29 -48.53 6.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.565 ' HB2' HG22 ' A' ' 99' ' ' VAL . 27.8 mm-40 -87.6 -33.76 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.76 18.46 47.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -52.77 -58.65 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -120.62 97.87 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 107' ' ' MET . 1.1 tpp -79.26 -42.02 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.51 -37.33 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -68.57 -52.54 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.622 HG11 HD13 ' A' ' 101' ' ' LEU . 84.3 t -39.43 -33.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -75.06 -52.21 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -40.7 -34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.2 m -67.99 -69.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.02 -47.81 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.468 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -43.56 -40.16 3.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.068 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.1 -46.99 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.5 tp -51.53 -55.94 16.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.561 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -45.72 -69.77 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -45.74 -43.32 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.744 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.868 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.1 mt -55.97 -44.93 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.37 70.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 133' ' ' PRO . 64.2 t -63.33 -38.23 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.442 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.442 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.91 -44.96 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -49.17 -34.86 15.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.737 ' HH2' HG11 ' A' ' 20' ' ' VAL . 36.5 m0 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.929 HD21 ' HG2' ' A' ' 115' ' ' MET . 0.4 OUTLIER -41.53 -70.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.94 -54.34 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.63 -51.27 12.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -58.13 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -40.42 -54.89 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 69.4 t -67.01 -63.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.764 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mt-10 -38.45 -33.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.488 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 24.4 t90 -76.93 -67.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.061 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.788 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.9 mt -41.4 -28.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 17' ' ' TRP . 29.4 t -65.98 -53.84 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.46 -35.9 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.602 ' HB3' HD12 ' A' ' 49' ' ' LEU . 3.1 mm-40 -68.8 -65.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.96 -53.51 54.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 114.06 173.83 18.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 54.41 3.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.99 -45.64 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.3 -27.9 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.44 -150.44 20.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -137.53 157.78 73.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -40.08 -57.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -58.67 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.8 -47.27 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.43 ' CZ3' HG22 ' A' ' 15' ' ' VAL . 4.8 t90 -44.67 -39.92 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.8 ' O ' HD11 ' A' ' 101' ' ' LEU . 20.7 mt -112.87 50.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASN . 69.8 tttt -108.02 -66.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.434 ' ND2' ' OE1' ' A' ' 74' ' ' GLN . 1.2 m-80 -39.85 -56.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 112.21 -19.5 22.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.792 HG13 ' CG2' ' A' ' 63' ' ' VAL . 53.8 t -51.83 -51.98 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.84 -56.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.512 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 19.7 mt -47.05 -49.51 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -58.77 -36.79 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG3' HG21 ' A' ' 63' ' ' VAL . 24.5 mttm -66.22 -30.47 70.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 21' ' ' GLN . 18.4 tp -62.99 -72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.692 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.1 p -46.7 -40.82 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -56.94 -58.77 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 49' ' ' LEU . 54.1 p -52.45 -40.09 61.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 50' ' ' VAL . 76.2 mt -55.51 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 14.6 m-85 -36.07 151.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.44 39.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -47.99 155.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.62 -45.62 3.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' LYS . 18.6 t -57.92 -68.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 40.03 85.18 0.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -53.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.4 t -90.78 155.63 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -120.39 98.33 6.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.792 ' CG2' HG13 ' A' ' 44' ' ' VAL . 6.7 p -99.48 113.85 65.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.59 23.32 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.9 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -76.94 132.22 71.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 138.58 23.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.97 -174.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.69 -152.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 74' ' ' GLN . 9.8 mtt 54.83 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.494 HG13 ' HE2' ' A' ' 102' ' ' TYR . 95.0 t -82.35 -65.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -42.16 -45.5 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -68.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' MET . 11.3 mm-40 -42.29 -54.95 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.457 ' SD ' HG22 ' A' ' 98' ' ' THR . 24.9 mmm -46.61 -49.05 19.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.52 -50.51 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -40.8 -60.93 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.495 HG22 ' CA ' ' A' ' 43' ' ' GLY . 98.3 t -61.14 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.46 -46.58 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -53.03 -45.56 68.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 3.7 t80 -70.68 -44.58 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.5 mt -49.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -44.54 -40.77 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.87 -42.63 99.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -49.71 -52.65 29.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -48.68 61.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -48.23 -42.4 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 2.6 t80 -54.17 -48.68 70.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.846 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 140.3 44.48 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 91' ' ' ILE . 40.5 t -104.1 129.42 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.481 HD11 ' OD1' ' A' ' 94' ' ' ASP . 9.3 pt -53.39 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 17.3 tttt -103.49 -16.22 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.6 p -89.98 -1.88 58.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.648 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 1.2 m-20 -104.52 -23.32 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 44.2 mmm -74.95 137.77 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 51.8 p90 -111.08 -179.13 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' THR . 1.7 mt-30 -96.1 135.63 37.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.457 HG22 ' SD ' ' A' ' 75' ' ' MET . 42.2 m -37.68 -48.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.5 p -56.91 -52.82 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.521 ' N ' HG13 ' A' ' 99' ' ' VAL . 18.2 m-20 -39.14 -31.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.8 HD11 ' O ' ' A' ' 40' ' ' LEU . 18.9 tp -99.36 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.494 ' HE2' HG13 ' A' ' 71' ' ' VAL . 3.8 t80 -45.57 -58.17 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 99' ' ' VAL . 46.4 mm-40 -93.75 17.78 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 36.27 41.14 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.42 -33.3 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 100.45 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.38 -39.17 21.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.81 -32.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -82.22 -49.83 9.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.575 HG11 HD13 ' A' ' 101' ' ' LEU . 75.4 t -41.78 -29.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 109' ' ' ALA . 91.2 mt-30 -78.1 -51.65 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -32.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -70.23 -55.9 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.548 HD13 ' HG ' ' A' ' 14' ' ' LEU . 17.4 mt -58.84 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.929 ' HG2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -43.45 -27.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.648 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -93.58 -43.27 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' A' ' 117' ' ' LEU . 12.2 tp -55.14 -58.52 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.488 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.8 -63.46 4.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -47.85 -38.18 15.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.846 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.8 mt -59.21 -43.3 92.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 133' ' ' PRO . 46.1 t -65.86 -46.93 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.559 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 33.8 m-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.466 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.05 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.41 54.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.7 ' HH2' HG11 ' A' ' 20' ' ' VAL . 10.9 m0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.029 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -46.29 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.62 -56.74 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -54.42 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 10' ' ' LEU . 66.1 mt -41.85 -57.07 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 19' ' ' VAL . 88.2 t -59.21 -51.1 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.8 mm-40 -51.66 -25.56 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.552 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.3 t90 -82.36 -57.91 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -49.16 -23.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 15' ' ' VAL . 34.8 t -72.29 -54.31 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.3 m -65.95 -39.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.552 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -59.99 -71.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 m -63.49 -54.23 39.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.96 174.76 16.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.428 1.08 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 54.62 3.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.54 -44.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.32 -29.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.63 -151.2 20.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -132.17 160.48 67.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.215 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -39.08 -54.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.749 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -50.69 -49.31 57.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.56 -49.04 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.466 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 13.6 t90 -49.45 -30.17 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 107.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.821 ' O ' HD21 ' A' ' 101' ' ' LEU . 28.9 mt -114.55 37.12 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -104.55 -53.07 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.643 ' OD1' HG23 ' A' ' 44' ' ' VAL . 27.5 t-20 -45.43 -54.07 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.86 -25.52 26.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.643 HG23 ' OD1' ' A' ' 42' ' ' ASN . 4.7 t -49.74 -50.31 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.62 -47.41 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 81' ' ' PHE . 18.1 mt -53.17 -46.43 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.4 m -61.21 -40.29 93.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -63.93 -38.85 92.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 21' ' ' GLN . 14.0 tp -57.45 -73.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 51' ' ' ASN . 9.8 p -42.97 -47.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.425 ' N ' HG13 ' A' ' 50' ' ' VAL . 9.2 m-80 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 p -43.86 -45.87 7.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD13 ' OH ' ' A' ' 88' ' ' TYR . 93.1 mt -59.09 -85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 44.3 m-85 -36.27 153.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.44 -59.26 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.27 52.82 3.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -175.79 37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.31 114.15 42.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -61.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 81' ' ' PHE . 61.2 t -88.63 161.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 61' ' ' VAL . 2.0 mppt? -126.2 101.47 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 63' ' ' VAL . 2.4 p -89.23 114.73 61.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.28 -49.87 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -81.93 125.99 76.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 139.4 24.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -75.0 -165.66 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.58 -65.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -38.58 122.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.719 HG13 ' H ' ' A' ' 72' ' ' PHE . 1.2 p -42.23 -69.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.719 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m-30 -47.3 -23.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.1 mmtt -85.58 -57.26 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' MET . 30.2 mt-30 -56.53 -45.36 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.517 ' CE ' ' CG ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -43.95 -43.31 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 110.977 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.59 -45.9 81.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -53.53 -57.59 10.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.5 t -58.21 -48.92 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.46 -51.44 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -50.22 -43.22 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' HA ' HG21 ' A' ' 61' ' ' VAL . 1.7 t80 -72.78 -43.51 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.916 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 41.0 mt -52.29 -63.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.05 70.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.95 92.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.2 -34.04 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -59.12 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.47 -45.51 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 4.7 t80 -45.33 -39.68 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.46 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 147.53 -18.1 1.48 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.708 HG13 ' OD2' ' A' ' 94' ' ' ASP . 72.1 t -44.46 144.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.612 HD12 ' OG1' ' A' ' 93' ' ' THR . 34.9 pt -87.07 -169.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.11 1.5 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.612 ' OG1' HD12 ' A' ' 91' ' ' ILE . 1.5 p -105.27 -3.11 23.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.708 ' OD2' HG13 ' A' ' 90' ' ' VAL . 12.9 p30 -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 29.2 mmm -71.0 153.68 42.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.916 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 7.2 p90 -120.02 177.93 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.6 mt-30 -100.26 137.34 38.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.9 m -43.37 -33.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 1.2 m -72.27 -44.06 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 83.8 m-20 -49.52 -23.59 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 40' ' ' LEU . 14.2 tp -105.73 -60.02 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 71' ' ' VAL . 30.7 t80 -55.01 -58.05 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.06 -1.54 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 51.28 41.53 47.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -70.96 -39.12 72.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 110' ' ' VAL . 37.5 t0 -141.79 119.47 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -94.27 -38.78 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.92 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -60.19 -56.38 22.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 106' ' ' ASP . 68.0 t -40.42 -37.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -72.12 -50.11 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.41 ' CD ' ' HA ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.41 -30.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' ALA . 96.2 m -69.67 -69.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.17 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -35.48 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' THR . . . -76.91 -55.06 5.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 88' ' ' TYR . 16.9 tp -45.72 -64.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -46.24 -60.12 4.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -52.29 -42.89 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.4 mt -62.03 -40.43 95.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.411 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -73.13 -30.32 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 118' ' ' GLY . 40.4 t -68.78 -47.75 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.463 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 4.3 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.65 12.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -88.26 44.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.581 ' HH2' HG11 ' A' ' 20' ' ' VAL . 14.6 m0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.055 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.507 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -55.1 -47.77 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 1.9 tt0 -44.74 -51.4 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -40.12 -44.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -51.51 63.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 18' ' ' ILE . 47.4 mt -43.22 -56.56 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 19' ' ' VAL . 43.8 t -58.65 -48.91 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.0 mm-40 -47.79 -25.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.471 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.0 t90 -85.05 -61.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 mt -48.46 -23.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 15' ' ' VAL . 41.4 t -69.1 -54.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.89 -38.2 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -62.62 -70.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -64.85 -53.41 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.246 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.99 179.36 17.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.03 3.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -125.63 -44.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 m -70.72 -32.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 -143.8 16.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.583 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -139.57 141.27 27.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -38.07 -55.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -59.48 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.1 t -58.11 -45.84 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.612 ' CH2' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -47.24 -37.18 10.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.789 ' O ' HD11 ' A' ' 101' ' ' LEU . 30.4 mt -114.17 44.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 61.9 tttt -109.17 -54.19 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 5.2 m-20 -44.56 -48.51 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.93 -31.55 8.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -49.16 -49.16 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.48 -52.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.99 -52.44 65.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.436 ' OG ' HG11 ' A' ' 61' ' ' VAL . 71.0 m -55.34 -39.53 70.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HE2' HG11 ' A' ' 63' ' ' VAL . 26.2 mttm -60.93 -40.04 91.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' SER . 14.5 tp -58.39 -73.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.0 p -39.86 -48.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' HG13 ' A' ' 50' ' ' VAL . 15.1 m-80 -57.84 -47.99 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 p -48.14 -47.0 35.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' TYR . 86.7 mt -57.08 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 52.0 m-85 -36.54 155.07 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.0 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.78 -58.77 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.42 53.15 3.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -176.36 41.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -80.38 113.96 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.98 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.436 HG11 ' OG ' ' A' ' 47' ' ' SER . 60.3 t -87.33 160.72 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.7 ttpt -113.76 130.67 56.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.608 HG11 ' HE2' ' A' ' 48' ' ' LYS . 11.8 t -110.44 110.28 57.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -75.06 0.67 8.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 64' ' ' PRO . 5.3 tt0 83.63 -56.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -89.77 132.39 36.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 144.92 30.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.05 -172.1 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 t -128.56 -46.47 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -51.54 169.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.507 HG13 ' OH ' ' A' ' 102' ' ' TYR . 70.6 t -85.87 -58.05 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -41.97 -44.45 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -62.7 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' HA ' ' A' ' 42' ' ' ASN . 28.3 mm-40 -40.03 -58.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -47.78 56.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.44 -49.31 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.39 -63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.92 -48.98 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.19 55.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -53.37 -44.13 68.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -73.38 -43.13 61.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.732 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 45.1 mt -51.56 -59.71 3.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -54.83 -39.52 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.17 -37.28 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.64 -46.28 83.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.87 -40.45 56.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.471 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 2.7 t80 -53.41 -54.35 38.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.834 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 146.92 43.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 120' ' ' LEU . 69.1 t -106.12 137.48 36.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.633 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.4 pt -73.14 167.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 2.98 43.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.633 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -99.63 -15.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.606 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.6 OUTLIER -100.71 -18.11 16.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 52.6 mmm -78.92 150.05 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.732 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 34.4 p90 -117.58 -172.38 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.042 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.7 mt-30 -103.45 134.47 46.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.5 m -38.14 -37.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 103' ' ' GLU . 8.4 p -65.81 -52.33 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.511 ' N ' HG13 ' A' ' 99' ' ' VAL . 62.3 m-20 -40.46 -29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.789 HD11 ' O ' ' A' ' 40' ' ' LEU . 13.1 tp -99.77 -63.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.507 ' OH ' HG13 ' A' ' 71' ' ' VAL . 35.7 t80 -43.9 -50.64 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 99' ' ' VAL . 54.1 mm-40 -90.1 -18.0 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.32 25.13 76.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.9 -56.44 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 110' ' ' VAL . 5.6 m-20 -121.02 107.16 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -47.05 13.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.96 -31.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.11 -53.86 8.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 92.4 t -42.98 -37.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.413 ' OE1' HD12 ' A' ' 14' ' ' LEU . 15.1 mt-30 -78.95 -46.78 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -28.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -74.97 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.95 -49.57 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.507 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.84 -33.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.606 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -86.99 -50.79 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.0 tp -45.7 -60.69 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -49.58 -67.66 1.69 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.59 -40.63 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.834 HD11 ' O ' ' A' ' 89' ' ' GLY . 4.3 mt -59.79 -46.39 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -68.12 -29.66 68.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 133' ' ' PRO . 64.1 t -68.72 -42.7 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.462 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.97 -22.49 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -86.07 48.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.589 ' HH2' HG11 ' A' ' 20' ' ' VAL . 24.1 m0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 107.992 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.343 -0.244 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.65 -64.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.35 -53.59 1.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.1 -59.49 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.36 -51.96 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 mt -41.47 -55.98 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.684 HG13 ' CH2' ' A' ' 39' ' ' TRP . 89.9 t -59.44 -53.24 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.671 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.7 mt-10 -45.54 -26.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.499 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 23.6 t90 -83.02 -56.87 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.5 mt -49.41 -24.4 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' GLY . 27.0 t -71.37 -54.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -67.91 -38.33 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.6 ' HB3' HD12 ' A' ' 49' ' ' LEU . 9.1 mm-40 -62.99 -69.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -65.29 -54.39 29.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 108.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.22 176.07 18.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.07 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.33 -46.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.42 -30.23 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.53 -142.29 16.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.455 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -135.78 170.39 11.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -43.13 77.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.95 -37.45 74.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.4 t -81.81 -30.19 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.684 ' CH2' HG13 ' A' ' 15' ' ' VAL . 5.9 t90 -62.45 -37.89 87.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.833 ' O ' HD11 ' A' ' 101' ' ' LEU . 30.0 mt -108.4 33.39 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -95.38 -57.98 2.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -42.34 -50.04 5.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.13 -26.75 23.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 67' ' ' PRO . 53.3 t -48.79 -46.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 mt -63.94 -42.52 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD22 ' CE2' ' A' ' 81' ' ' PHE . 27.0 mt -60.84 -45.21 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.642 ' HB2' HG11 ' A' ' 61' ' ' VAL . 43.7 p -65.18 -39.22 92.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HE2' HG11 ' A' ' 63' ' ' VAL . 17.2 mttm -64.25 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 21' ' ' GLN . 35.1 tp -54.22 -73.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -45.62 -37.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -56.54 20.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -46.17 16.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.6 mt -53.72 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 17.1 m-85 -35.59 150.44 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 158.73 42.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.35 152.82 6.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.83 -44.67 3.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -55.71 -75.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 42.85 90.69 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.5 Cg_endo -74.96 -46.76 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.642 HG11 ' HB2' ' A' ' 47' ' ' SER . 48.5 t -87.65 164.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -118.07 115.87 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.594 HG11 ' HE2' ' A' ' 48' ' ' LYS . 6.5 t -99.38 109.14 53.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 154.1 42.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.42 -62.09 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -100.85 139.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.901 ' HB3' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.03 148.39 35.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.94 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -155.67 -51.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.508 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 3.0 mtt -45.88 137.52 5.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.735 HG13 ' H ' ' A' ' 72' ' ' PHE . 1.3 p -45.6 -69.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.735 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.1 m-85 -51.89 -20.48 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 5.1 mmtp -82.7 -68.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' MET . 14.7 mm-40 -53.56 -44.08 68.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.425 ' HE1' HG12 ' A' ' 99' ' ' VAL . 15.1 mtp -48.94 -43.88 40.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -46.12 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -46.54 -47.04 19.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG12 ' HG ' ' A' ' 82' ' ' LEU . 60.3 t -72.77 -43.84 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.97 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' VAL . 67.7 mt-30 -54.4 -44.36 72.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CE2' HD22 ' A' ' 46' ' ' LEU . 7.9 t80 -72.98 -42.07 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.778 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 42.1 mt -53.2 -56.14 18.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -59.57 -40.29 86.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.91 99.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.39 80.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -58.92 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -44.75 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -44.95 -38.79 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.68 -17.12 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.498 HG13 ' OD2' ' A' ' 94' ' ' ASP . 99.4 t -46.98 153.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.796 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.623 HD12 ' OG1' ' A' ' 93' ' ' THR . 18.5 pt -99.31 -171.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.8 7.42 39.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.623 ' OG1' HD12 ' A' ' 91' ' ' ILE . 2.2 p -108.1 -9.08 15.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.498 ' OD2' HG13 ' A' ' 90' ' ' VAL . 9.0 p30 -112.25 -10.5 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 59.5 mmm -82.42 162.63 22.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.778 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.6 p90 -127.03 -177.51 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.7 mt-30 -103.21 134.2 47.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -41.89 -35.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.7 m -68.12 -47.41 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.445 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 69.0 m-20 -48.86 -25.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.833 HD11 ' O ' ' A' ' 40' ' ' LEU . 12.2 tp -101.18 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.599 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 5.0 t80 -51.52 -56.05 15.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.64 -5.55 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.46 44.53 85.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -68.96 -72.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.5 OUTLIER -115.51 111.92 21.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.0 mmm -83.26 -28.43 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.83 -42.75 80.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -70.81 -52.68 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.58 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 53.8 t -41.83 -30.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 109' ' ' ALA . 72.6 mt-30 -81.45 -51.5 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.65 -31.77 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.5 m -68.22 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.8 mt -42.66 -50.05 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -41.47 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.35 -59.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.9 tp -40.16 -55.99 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.65 -67.16 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -48.01 -41.52 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 0.799 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 90' ' ' VAL . 2.3 mt -58.44 -32.24 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.35 -30.66 30.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.07 -50.37 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.522 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 13.6 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -32.36 5.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -83.21 51.87 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.661 ' HH2' HG11 ' A' ' 20' ' ' VAL . 15.5 m0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.61 -66.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -38.66 -56.8 1.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.0 -48.55 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -67.21 -57.64 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' ARG . 61.1 mt -40.06 -56.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.9 t -58.07 -50.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.643 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mm-40 -49.46 -25.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.55 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 20.7 t90 -86.59 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.98 -24.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 15' ' ' VAL . 43.1 t -69.72 -54.07 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.74 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -67.52 -38.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.624 ' OE1' HD21 ' A' ' 53' ' ' LEU . 5.4 mm-40 -59.03 -70.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -66.73 -53.04 37.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.71 179.6 16.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.47 3.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.13 -44.84 2.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.0 m -69.68 -33.09 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 -144.92 17.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -140.72 141.55 25.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 37.4 t80 -39.56 -52.52 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.431 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.6 t -55.85 -44.9 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CH2' HG13 ' A' ' 15' ' ' VAL . 6.4 t90 -44.57 -42.07 7.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.82 ' O ' HD11 ' A' ' 101' ' ' LEU . 29.6 mt -111.37 47.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 18.9 tttt -110.35 -56.31 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -43.42 -51.09 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.23 -27.59 17.85 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.585 HG13 HG23 ' A' ' 63' ' ' VAL . 55.3 t -50.44 -40.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -68.94 -56.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 81' ' ' PHE . 33.1 mt -50.58 -44.7 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.51 ' OG ' HG11 ' A' ' 61' ' ' VAL . 46.0 m -63.4 -35.39 80.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HG3' HG21 ' A' ' 63' ' ' VAL . 14.1 mttm -67.73 -41.43 83.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 21' ' ' GLN . 24.8 tp -55.35 -73.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 54' ' ' TYR . 8.7 p -41.55 -48.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 50' ' ' VAL . 1.7 m-80 -48.39 -60.45 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.92 -52.55 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.624 HD21 ' OE1' ' A' ' 21' ' ' GLN . 43.8 mt -53.02 -79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 29.9 m-85 -36.53 152.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.65 -34.24 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 41.25 3.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.56 -72.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.41 88.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.94 -59.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.589 HG13 ' HB3' ' A' ' 80' ' ' GLN . 49.1 t -86.97 165.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.495 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -127.05 102.45 6.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.585 HG23 HG13 ' A' ' 44' ' ' VAL . 2.1 p -100.5 115.74 65.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -101.82 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.94 36.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.4 Cg_endo -75.01 -57.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER 84.73 -48.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 126.61 28.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.631 HG22 ' OH ' ' A' ' 102' ' ' TYR . 51.0 t -41.87 -67.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -43.07 -47.96 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -61.83 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -43.23 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.61 -43.87 36.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' GLN . 34.3 mt-10 -63.61 -52.6 60.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' GLU . 2.1 tp60 -39.01 -48.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.99 -52.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -41.63 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.589 ' HB3' HG13 ' A' ' 61' ' ' VAL . 75.4 mt-30 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.615 ' CE2' HD22 ' A' ' 46' ' ' LEU . 4.7 t80 -68.6 -43.43 76.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 36.5 mt -51.03 -71.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -44.66 -40.46 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.93 -42.82 99.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.635 ' HB3' ' HE1' ' A' ' 95' ' ' MET . . . -53.85 -38.94 65.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -47.66 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -48.71 -44.48 38.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.5 -55.21 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.847 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 150.57 42.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.546 HG22 HD12 ' A' ' 120' ' ' LEU . 79.4 t -106.13 136.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.56 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.4 pt -70.51 169.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -86.53 2.67 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.56 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -101.74 -11.57 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -100.76 -21.41 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.635 ' HE1' ' HB3' ' A' ' 85' ' ' ALA . 40.2 mmm -77.15 137.54 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 7.9 p90 -105.67 178.81 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.6 mt-30 -93.58 135.92 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.2 m -37.07 -48.2 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.4 p -55.84 -52.49 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.523 ' N ' HG13 ' A' ' 99' ' ' VAL . 54.0 m-20 -39.55 -30.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.82 HD11 ' O ' ' A' ' 40' ' ' LEU . 16.4 tp -101.01 -64.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.631 ' OH ' HG22 ' A' ' 71' ' ' VAL . 20.7 t80 -42.92 -51.63 5.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HB2' HG22 ' A' ' 99' ' ' VAL . 5.6 mm-40 -104.77 23.89 12.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.06 31.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -51.43 -37.02 46.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.879 ' O ' HG23 ' A' ' 110' ' ' VAL . 52.9 m-20 -147.33 109.37 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.42 -32.43 29.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.12 75.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -63.16 -51.28 67.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 106' ' ' ASP . 87.3 t -39.25 -30.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 109' ' ' ALA . 65.5 mt-30 -84.1 -53.47 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.85 -34.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -68.32 -69.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.52 -47.78 38.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -39.07 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -78.27 -56.28 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.3 tp -42.37 -57.38 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.21 -66.06 2.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -38.89 17.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.8 mt -59.82 -43.07 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.96 63.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 118' ' ' GLY . 86.2 t -74.03 -48.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -33.17 4.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -31.21 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.74 ' HH2' HG11 ' A' ' 20' ' ' VAL . 32.9 m0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.727 HD21 ' CG ' ' A' ' 115' ' ' MET . 0.5 OUTLIER -43.43 -52.64 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.54 -49.36 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' GLU . 2.9 mm-40 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -54.95 -45.97 74.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 18' ' ' ILE . 3.3 mp -51.03 -62.07 1.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.601 HG11 ' HD2' ' A' ' 29' ' ' PRO . 46.4 t -62.83 -62.25 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.709 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.9 mt-10 -40.17 -34.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.43 ' NE1' ' HG3' ' A' ' 21' ' ' GLN . 19.5 t90 -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 107.99 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.2 mt -50.83 -22.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 15' ' ' VAL . 40.8 t -70.13 -51.99 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -69.36 -38.93 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG3' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -61.69 -69.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -65.92 -49.23 68.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 112.52 -178.2 18.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.58 3.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.92 -47.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 26' ' ' VAL . 4.5 m -67.34 -33.45 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.44 -138.62 14.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -144.82 141.97 18.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 0.734 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.601 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 45.2 t80 -41.56 -52.74 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.21 -61.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 96.4 t -57.38 -47.37 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 8.5 t90 -49.05 -37.44 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' HD21 ' A' ' 101' ' ' LEU . 56.6 mt -112.53 41.26 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 14.7 tttm -105.24 -55.47 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.87 -46.77 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.8 9.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.553 HG13 HG13 ' A' ' 63' ' ' VAL . 54.6 t -50.04 -54.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mt -49.84 -50.89 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD11 HD21 ' A' ' 101' ' ' LEU . 50.7 mt -57.41 -49.16 77.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.501 ' HB3' HG11 ' A' ' 61' ' ' VAL . 63.3 m -57.42 -37.35 72.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.777 ' HE2' HG11 ' A' ' 63' ' ' VAL . 31.1 mttm -68.25 -36.66 79.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.51 -74.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.54 -44.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 3.0 m-80 -51.15 -59.67 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.7 OUTLIER -39.09 -51.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' TYR . 31.0 mt -54.13 -79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 25.7 m-85 -35.97 149.61 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -172.22 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -78.55 -33.98 47.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.94 41.58 3.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.088 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.66 -73.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 41.23 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.95 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -86.14 166.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -127.97 102.07 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.777 HG11 ' HE2' ' A' ' 48' ' ' LYS . 62.6 t -83.73 117.25 68.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -45.68 -64.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -118.15 164.8 18.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.04 150.22 37.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.98 -176.96 3.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.69 -48.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mtt -49.97 153.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.76 -60.18 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -47.95 -37.11 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.7 -68.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -45.62 -49.53 14.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.18 -52.61 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.38 -44.91 89.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -44.09 -42.23 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.75 -53.39 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.29 6.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -72.06 -43.26 65.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.817 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 38.2 mt -53.39 -58.2 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -52.54 -44.23 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' CE ' ' A' ' 95' ' ' MET . . . -52.62 -47.2 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -50.38 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -40.53 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.17 -55.39 21.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.836 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 150.18 43.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.632 HG22 HD12 ' A' ' 120' ' ' LEU . 92.7 t -108.46 129.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.469 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.9 pt -61.75 174.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -12.34 47.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.469 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -89.62 -12.86 38.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -98.42 -21.12 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 35.4 mmm -81.14 147.49 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.817 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 11.9 p90 -108.75 -176.91 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mt-30 -96.17 139.4 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 m -47.01 -23.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -87.49 -37.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' GLN . 80.1 m-20 -50.04 -23.02 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.813 HD21 ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -106.75 -63.43 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 28.5 t80 -49.99 -52.57 32.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' LYS . 14.1 mm-40 -90.66 12.6 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.56 30.59 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' GLU . 12.0 mttt -57.12 -45.39 83.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -141.49 107.87 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 38.0 mmm -82.58 -36.71 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.63 11.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -76.71 -53.2 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.552 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 95.2 t -41.28 -30.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 109' ' ' ALA . 89.0 mt-30 -81.26 -51.79 8.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -33.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.2 m -68.59 -64.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.613 HD13 ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt -46.96 -50.77 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.727 ' CG ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.48 -37.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.71 -57.28 3.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.9 tp -43.46 -49.57 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.58 -69.67 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.0 -36.0 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.836 HD11 ' O ' ' A' ' 89' ' ' GLY . 6.0 mt -66.0 -51.63 56.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.74 -17.25 55.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.6 t -83.04 -45.87 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.421 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.13 8.51 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -84.31 50.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.624 ' HH2' HG11 ' A' ' 20' ' ' VAL . 14.9 m0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.982 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t 61.86 158.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -87.24 127.26 35.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.38 66.18 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 159.82 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -104.1 82.24 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.62 -97.25 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 54.87 172.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -56.4 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.522 HD11 ' HE3' ' A' ' 115' ' ' MET . 0.4 OUTLIER -40.34 -62.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.22 -56.44 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.4 -56.1 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -60.45 -52.15 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.635 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 20.6 mt -40.66 -54.51 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.699 HG13 ' CH2' ' A' ' 39' ' ' TRP . 74.9 t -60.84 -50.62 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.675 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.6 mt-10 -46.67 -25.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.587 ' CD1' ' CE1' ' A' ' 129' ' ' TYR . 19.3 t90 -84.36 -56.33 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mt -52.7 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 15' ' ' VAL . 37.2 t -73.36 -53.68 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.749 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -66.04 -38.88 83.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -63.68 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.01 -54.14 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 113.82 177.13 19.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.07 3.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.86 -45.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.16 -27.11 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.01 -151.54 26.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -136.84 174.14 4.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.74 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 128.43 11.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.82 141.22 55.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 174.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.55 152.35 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.17 -171.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mt -41.98 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.65 -56.7 3.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' TRP . 40.8 t80 -73.98 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -46.29 -42.14 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.245 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.1 t -69.5 -34.98 64.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.699 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.6 t90 -59.51 -43.69 93.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.797 ' O ' HD21 ' A' ' 101' ' ' LEU . 48.1 mt -103.77 42.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 13.0 tttt -104.38 -60.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.743 ' OD1' HG23 ' A' ' 44' ' ' VAL . 22.2 t-20 -42.06 -55.78 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.51 -32.46 6.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.743 HG23 ' OD1' ' A' ' 42' ' ' ASN . 36.9 t -43.92 -48.37 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.25 -41.92 94.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 81' ' ' PHE . 26.3 mt -62.33 -51.81 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.47 ' HB3' HG11 ' A' ' 61' ' ' VAL . 46.3 m -58.19 -33.23 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HE2' HG11 ' A' ' 63' ' ' VAL . 22.2 mttm -68.26 -38.71 82.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.56 -70.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 51' ' ' ASN . 9.2 p -41.24 -49.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.453 ' N ' HG13 ' A' ' 50' ' ' VAL . 6.4 m-80 -56.37 -51.99 66.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 p -40.62 -38.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' TYR . 9.6 mt -75.16 -72.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 13.2 m-85 -35.13 150.76 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.6 5.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -32.06 53.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.23 38.08 3.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -145.5 -72.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.07 90.44 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.99 -51.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.813 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 62' ' ' LYS . 48.4 t -90.47 168.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.541 ' N ' HG12 ' A' ' 61' ' ' VAL . 25.9 mttt -127.97 107.68 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.498 HG11 ' HE2' ' A' ' 48' ' ' LYS . 76.5 t -97.33 118.44 64.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 177.32 8.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.98 -58.5 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -101.61 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.96 145.22 31.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.99 -174.08 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.11 -46.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mtt -43.28 158.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -72.39 -64.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -40.0 -42.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -67.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.58 -51.49 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -47.91 71.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.21 -49.38 72.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -41.72 -43.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' PHE . 97.1 t -68.94 -54.01 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.0 -45.55 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -52.63 -41.6 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.7 t80 -76.95 -44.47 31.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 mt -51.95 -57.52 9.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -57.63 -41.05 80.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.77 96.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.48 -56.88 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -43.96 -52.17 7.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.35 -54.46 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.45 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.9 t80 -40.32 -40.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.82 -17.63 1.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.486 HG13 ' OD2' ' A' ' 94' ' ' ASP . 96.5 t -43.52 151.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.556 HD12 ' HB ' ' A' ' 93' ' ' THR . 25.7 pt -96.95 -170.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -102.69 2.03 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.556 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.73 -6.57 23.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' HG13 ' A' ' 90' ' ' VAL . 7.2 p30 -115.92 -7.96 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 68.8 mmm -88.49 140.18 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 16.0 p90 -107.09 -176.14 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mm-40 -101.03 137.54 39.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' GLN . 86.6 m -37.82 -41.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.9 p -65.15 -52.37 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 99' ' ' VAL . 88.0 m-20 -39.68 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.797 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -99.26 -61.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 11.6 t80 -45.8 -56.48 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 26.2 mt-10 -100.18 23.91 9.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.61 29.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -47.77 -36.8 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.1 m-20 -152.07 112.86 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 40.0 mmm -86.21 -32.28 21.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.06 -30.72 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -79.22 -51.18 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.542 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 74.0 t -40.04 -30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 70.3 mt-30 -80.8 -53.99 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -36.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.4 m -66.37 -68.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.454 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.48 -46.53 57.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.522 ' HE3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.16 -34.59 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.87 -53.63 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -44.93 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -40.69 -64.64 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -46.07 -48.33 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.34 -43.23 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.57 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 118' ' ' GLY . 79.3 t -62.66 -33.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.0 m -70.61 -46.86 62.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -73.45 -77.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 54.12 98.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -153.58 27.82 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.54 62.9 0.66 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -147.88 -48.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.587 ' CE1' ' CD1' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -76.09 119.15 19.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -97.18 39.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.57 ' HA3' ' CH2' ' A' ' 135' ' ' TRP . . . -144.21 -114.36 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.416 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 1.7 m-20 -147.2 145.95 23.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.1 15.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -88.58 45.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.749 ' HH2' HG11 ' A' ' 20' ' ' VAL . 18.4 m0 -110.4 -53.92 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.011 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.635 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 16.4 m-85 -85.78 -49.08 8.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.3 mtt -44.12 138.52 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.18 -66.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.44 112.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -179.01 -159.36 23.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.13 41.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.2 116.64 26.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.83 160.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.35 -60.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p 44.03 90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.76 171.4 12.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.36 168.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.52 174.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.62 -56.97 0.37 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 59.9 149.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -89.56 -45.52 9.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD22 ' HE3' ' A' ' 115' ' ' MET . 0.1 OUTLIER -57.88 -46.18 85.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.41 -50.77 66.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -45.22 -47.37 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 136' ' ' PHE . 3.8 mtt180 -58.78 -52.95 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -40.63 -55.16 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.603 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 91.9 t -64.84 -59.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.2 mt-10 -41.35 -29.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.479 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.5 t90 -77.67 -58.84 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -48.95 -23.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 54.3 t -71.75 -52.75 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.737 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -68.54 -37.47 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.487 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.9 mm-40 -62.99 -69.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.3 m -65.59 -53.49 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 115.89 177.34 18.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.69 4.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -127.62 -45.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.46 -27.13 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.5 -140.54 15.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -149.96 164.68 19.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.93 -168.08 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -100.6 179.37 4.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.39 169.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.74 94.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -172.65 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.9 mm? -59.28 -16.53 22.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.82 -55.56 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -42.7 -52.01 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tt0 -48.61 -50.45 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 94.5 t -60.87 -48.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.603 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 6.5 t90 -49.99 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.811 ' O ' HD11 ' A' ' 101' ' ' LEU . 38.4 mt -115.24 38.51 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 8.3 tttt -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -40.99 -50.35 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.18 43.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.552 HG13 ' CG2' ' A' ' 63' ' ' VAL . 55.6 t -57.77 -49.78 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.02 -42.01 81.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 81' ' ' PHE . 24.5 mt -56.06 -49.13 74.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -59.63 -40.92 89.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -59.28 -39.37 82.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 21' ' ' GLN . 30.0 tp -56.53 -73.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.472 HG21 ' HB1' ' A' ' 84' ' ' ALA . 9.0 p -42.86 -48.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.7 m-20 -57.5 -42.18 82.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.1 p -49.38 -35.82 19.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' A' ' 88' ' ' TYR . 38.0 mt -71.37 -84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 62.0 m-85 -35.9 149.84 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.34 10.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 10.4 pt-20 -70.67 -23.44 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.4 19.42 27.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -130.2 -71.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 mptm? 41.43 85.73 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -75.03 -44.77 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 80' ' ' GLN . 93.0 t -96.6 160.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 61' ' ' VAL . 16.5 mttt -120.94 100.4 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.801 HG22 ' H ' ' A' ' 65' ' ' GLU . 3.4 p -108.78 125.73 31.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 6.4 3.42 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.801 ' H ' HG22 ' A' ' 63' ' ' VAL . 0.9 OUTLIER 74.91 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -72.08 127.34 90.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -75.02 -87.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.94 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.16 155.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.857 HG22 ' OH ' ' A' ' 102' ' ' TYR . 24.9 t -82.58 -58.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -40.91 -45.62 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -63.51 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -41.07 -49.5 3.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -59.85 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.19 -52.95 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -39.13 -49.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -60.68 -58.1 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.17 -49.13 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' VAL . 49.8 mt-30 -53.0 -41.19 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.732 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.0 t80 -76.76 -45.53 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.695 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.4 mt -49.18 -56.43 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.64 -39.33 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 50' ' ' VAL . . . -63.0 -41.17 99.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.24 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -47.92 83.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.44 -39.22 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.555 ' CE1' HD13 ' A' ' 53' ' ' LEU . 4.2 t80 -53.61 -51.93 61.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.844 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 141.99 43.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 91' ' ' ILE . 41.0 t -99.46 148.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.037 HD12 ' OG1' ' A' ' 93' ' ' THR . 14.5 pt -76.53 179.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 6.36 44.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 1.037 ' OG1' HD12 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -110.56 -0.87 17.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.407 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.879 ' OD1' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -111.02 -18.35 13.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.7 mmm -75.46 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.695 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.2 p90 -108.31 177.32 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.5 mt-30 -98.95 138.73 35.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -42.76 -34.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -74.27 -43.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' GLN . 94.7 m-20 -48.66 -24.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -107.12 -71.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.857 ' OH ' HG22 ' A' ' 71' ' ' VAL . 24.7 t80 -40.17 -51.11 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -88.2 -18.55 28.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.94 34.27 76.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.98 -46.97 85.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -137.48 104.09 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -43.93 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.24 -36.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -72.48 -53.45 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.569 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 86.4 t -40.5 -29.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 109' ' ' ALA . 81.2 mt-30 -82.09 -52.36 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -38.21 -34.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 m -68.73 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.52 HD13 ' HG ' ' A' ' 14' ' ' LEU . 20.7 mt -47.88 -47.87 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.447 ' HE3' HD22 ' A' ' 10' ' ' LEU . 1.9 mtt -48.5 -26.43 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -91.92 -57.99 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.493 HD12 ' CD2' ' A' ' 88' ' ' TYR . 17.2 tp -40.54 -49.63 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -61.17 -67.73 1.99 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -39.25 -45.08 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.971 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.844 HD11 ' O ' ' A' ' 89' ' ' GLY . 6.1 mt -54.69 -50.1 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB1' ' CG ' ' A' ' 129' ' ' TYR . . . -66.11 -23.55 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.886 HG22 ' CE2' ' A' ' 129' ' ' TYR . 40.3 t -79.65 -67.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 52.9 m -41.89 -69.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -46.7 -43.36 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 126' ' ' ASP . 7.7 m-20 50.65 67.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER 159.66 44.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.22 51.54 0.82 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 4.4 m-80 55.4 40.13 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.886 ' CE2' HG22 ' A' ' 122' ' ' VAL . 5.8 t80 -95.18 116.56 28.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 131' ' ' GLY . 11.9 mmt180 -89.55 -66.45 0.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.452 ' CA ' HG21 ' A' ' 20' ' ' VAL . . . -36.88 155.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.86 146.35 98.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.848 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.94 -35.31 3.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.99 -21.72 8.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.737 ' HH2' HG11 ' A' ' 20' ' ' VAL . 33.9 m0 -57.33 -43.56 83.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 48.1 m-85 -136.44 77.14 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -76.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.69 155.84 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.96 122.08 40.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.62 153.01 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.55 8.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.7 m 58.16 112.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.13 108.26 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -127.97 142.86 51.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -163.11 168.5 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.83 133.95 7.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 p -158.93 103.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 0.727 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.78 150.82 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.16 -168.41 30.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.99 144.8 25.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -42.51 -51.44 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.32 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.65 -50.18 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.63 -52.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -58.28 5.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 18' ' ' ILE . 2.7 mp -42.21 -46.73 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.07 -61.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.697 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.9 mt-10 -43.43 -32.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.563 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.7 t90 -75.61 -58.23 3.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 14' ' ' LEU . 10.7 mt -49.35 -23.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 32.8 t -71.88 -53.15 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.738 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.2 m -69.12 -40.83 81.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.675 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.8 mm-40 -56.9 -67.73 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.2 -54.42 14.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.77 175.54 15.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -129.2 -46.45 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 45' ' ' ILE . 34.4 m -69.01 -30.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.23 -155.6 28.7 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -119.78 171.8 5.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.328 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -75.02 167.81 26.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.791 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.88 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -50.09 177.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -42.74 -82.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 34' ' ' LEU . 4.9 mtm180 -71.87 158.25 36.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER 42.24 91.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.78 -64.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -51.02 -37.09 43.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -51.22 68.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.18 -40.68 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 20.1 t90 -53.96 -38.71 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.829 ' O ' HD21 ' A' ' 101' ' ' LEU . 21.1 mt -110.23 43.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -105.28 -58.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -41.29 -54.04 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.41 -32.53 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.584 HG13 ' CG2' ' A' ' 63' ' ' VAL . 24.7 t -43.11 -42.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.401 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 10.3 mt -68.27 -48.63 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 101' ' ' LEU . 29.1 mt -56.4 -46.08 80.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.608 ' HB2' HG11 ' A' ' 61' ' ' VAL . 35.2 p -62.95 -35.71 81.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -67.18 -35.27 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 21' ' ' GLN . 16.1 tp -58.58 -71.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.496 HG22 ' CD1' ' A' ' 54' ' ' TYR . 7.2 p -43.72 -42.06 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.21 -59.26 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.38 -46.52 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.682 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 56.6 mt -61.21 -78.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 60' ' ' PRO . 24.8 m-85 -36.17 151.1 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.44 20.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.39 -39.71 95.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.5 44.58 3.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.64 -73.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 42.18 89.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -60.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.752 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.608 HG11 ' HB2' ' A' ' 47' ' ' SER . 45.2 t -78.44 166.97 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.511 ' N ' HG12 ' A' ' 61' ' ' VAL . 10.3 mttt -130.43 104.74 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.584 ' CG2' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -115.8 126.76 27.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.74 5.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.43 -34.78 76.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -112.4 159.45 33.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.505 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.93 139.5 24.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.763 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -75.02 -169.26 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.63 -157.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.95 166.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.555 HG22 ' OH ' ' A' ' 102' ' ' TYR . 39.5 t -84.77 -61.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -42.48 -48.62 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -62.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -42.64 -58.06 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.531 ' HE3' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -49.36 -49.33 44.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -50.85 58.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -39.82 -55.02 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 81' ' ' PHE . 55.1 t -60.94 -56.36 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.6 -50.72 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' HB3' HG13 ' A' ' 61' ' ' VAL . 70.7 mt-30 -49.7 -41.95 44.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.38 -45.87 44.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.83 HD21 ' CE1' ' A' ' 96' ' ' PHE . 31.9 mt -48.29 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -48.04 -41.99 27.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.46 89.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.75 -29.16 70.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.94 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -49.78 -44.07 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.682 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 7.4 t80 -45.3 -37.12 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.868 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 126.51 39.42 0.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.517 HG22 HD12 ' A' ' 120' ' ' LEU . 55.3 t -104.18 137.44 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.753 HD11 ' OD1' ' A' ' 94' ' ' ASP . 13.1 pt -67.89 -175.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -99.42 -15.96 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 93' ' ' THR . 0.7 OUTLIER -90.97 2.76 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.753 ' OD1' HD11 ' A' ' 91' ' ' ILE . 83.8 m-20 -110.59 -21.49 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.454 ' SD ' HG23 ' A' ' 113' ' ' THR . 55.3 mmm -77.28 168.43 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' A' ' 82' ' ' LEU . 46.0 p90 -129.88 178.94 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' ASP . 9.0 mt-30 -99.88 131.9 45.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' GLN . 5.9 m -37.06 -47.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.8 p -56.08 -52.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.522 ' N ' HG13 ' A' ' 99' ' ' VAL . 37.4 m-20 -40.0 -30.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.0 tp -99.94 -62.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.555 ' OH ' HG22 ' A' ' 71' ' ' VAL . 10.3 t80 -46.7 -57.52 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' HB2' HG22 ' A' ' 99' ' ' VAL . 51.1 mm-40 -98.2 23.28 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.69 35.53 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -23.3 31.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -175.8 113.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 46.6 mmm -85.65 -34.11 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.59 61.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.22 36.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' A' ' 96' ' ' PHE . 84.8 t -48.36 -26.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -83.15 -50.32 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -31.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.454 HG23 ' SD ' ' A' ' 95' ' ' MET . 34.5 m -67.97 -62.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mt -46.28 -49.58 17.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.407 ' SD ' HD11 ' A' ' 14' ' ' LEU . 86.2 mmm -50.76 -35.48 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.7 -49.18 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.5 tp -50.39 -49.16 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.12 -60.21 9.46 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 t -43.79 -49.2 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.868 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.4 mt -49.24 -39.98 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 129' ' ' TYR . . . -75.19 -33.63 61.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 136' ' ' PHE . 56.7 t -61.04 -37.49 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.4 m -60.43 -46.18 90.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 126' ' ' ASP . 38.6 mttt -73.47 -45.53 53.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.44 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 124' ' ' LYS . 11.8 m-20 -97.15 57.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.68 -61.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.632 ' O ' HD22 ' A' ' 53' ' ' LEU . 11.5 m-20 -142.96 53.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.439 ' CD1' ' HB1' ' A' ' 121' ' ' ALA . 1.4 t80 -140.65 152.99 45.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -128.57 -54.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.561 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -67.51 -170.08 4.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.17 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 145.7 42.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -44.04 -27.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.738 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.2 m0 -48.05 -67.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.435 ' HB2' HG21 ' A' ' 122' ' ' VAL . 97.9 m-85 -87.99 -38.68 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.9 ttp -49.99 160.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.15 98.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.1 p -169.78 147.46 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -113.73 153.08 17.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.12 4.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 m -78.66 105.94 10.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.5 m -142.54 140.04 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -157.32 176.08 13.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.51 106.99 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.78 -85.18 1.28 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.142 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 p 65.31 166.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -138.12 128.27 25.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.93 -176.37 14.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -49.61 158.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -39.09 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -71.63 -42.64 67.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -61.54 -53.95 49.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 2.5 mm-40 -38.71 -44.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -54.59 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 72.0 mt -44.17 -60.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 19' ' ' VAL . 57.7 t -56.44 -51.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 20' ' ' VAL . 4.5 mm-40 -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CD1' ' CE1' ' A' ' 129' ' ' TYR . 22.7 t90 -84.24 -61.07 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mt -47.55 -24.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 15' ' ' VAL . 38.3 t -69.74 -53.66 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.739 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -68.22 -40.08 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.7 mm-40 -59.11 -69.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.96 -54.42 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.99 -179.76 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.67 3.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 -51.19 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.5 m -64.02 -30.32 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.04 -151.03 21.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -133.64 158.69 74.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.02 167.48 26.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.28 -171.32 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -39.83 155.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 33' ' ' ARG . . . -75.67 113.76 4.02 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER 163.85 -59.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 110.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 35' ' ' GLY . 2.3 mt -132.33 -44.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -30.48 -51.74 0.21 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' TRP . 31.5 t80 -49.8 -58.36 5.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.45 -67.12 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.4 t -40.56 -43.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -51.45 -51.8 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.763 ' O ' HD21 ' A' ' 101' ' ' LEU . 5.1 mt -106.96 48.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -100.36 -64.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -51.58 -51.1 58.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 104.4 11.32 31.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.52 1.138 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.515 HG13 HG23 ' A' ' 63' ' ' VAL . 41.4 t -77.12 -56.86 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.61 -40.8 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 40' ' ' LEU . 14.1 mt -53.75 -51.31 63.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.4 m -56.58 -46.02 81.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' HG21 ' A' ' 63' ' ' VAL . 31.4 mttm -54.28 -38.8 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 21' ' ' GLN . 22.4 tp -58.0 -70.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.9 p -46.81 -44.46 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' SER . 7.5 m-80 -59.3 -52.89 63.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASN . 10.6 p -39.13 -39.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' TYR . 28.3 mt -66.7 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.9 m-85 -36.55 154.78 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.48 -30.62 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.59 38.32 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.66 -71.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.23 88.4 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.99 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.663 HG13 ' HB3' ' A' ' 80' ' ' GLN . 48.7 t -100.26 159.38 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -120.68 98.5 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 44' ' ' VAL . 2.5 p -99.91 114.77 65.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -69.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -78.0 145.26 69.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.97 151.42 39.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -75.02 133.76 16.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -56.95 3.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.95 149.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.04 -65.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -38.51 -47.85 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.32 -57.1 14.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -48.25 -58.74 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 6.5 mmm -47.78 -46.01 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.76 -51.21 70.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -39.16 -48.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 ' CA ' ' A' ' 43' ' ' GLY . 95.2 t -66.65 -51.55 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.27 -41.9 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HB3' HG13 ' A' ' 61' ' ' VAL . 36.7 mt-30 -56.55 -45.55 81.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -72.49 -42.31 65.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.741 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 42.9 mt -51.64 -61.73 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -53.89 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.22 99.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.49 -37.98 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -53.42 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.39 -39.87 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -53.64 -54.18 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.841 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 147.26 44.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 120' ' ' LEU . 62.7 t -103.61 138.76 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.575 HD12 ' HB ' ' A' ' 93' ' ' THR . 14.7 pt -74.19 174.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -92.89 3.57 55.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.575 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -102.37 -4.75 25.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.625 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -113.53 -13.34 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.5 mmm -82.4 147.22 28.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.741 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 20.1 p90 -116.51 179.2 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' ASP . 3.1 mt-30 -98.82 138.16 36.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.526 HG22 ' SD ' ' A' ' 75' ' ' MET . 17.7 m -37.56 -40.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.7 p -65.22 -52.59 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.527 ' N ' HG13 ' A' ' 99' ' ' VAL . 97.3 m-20 -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 40' ' ' LEU . 25.8 tp -98.06 -61.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 75' ' ' MET . 19.2 t80 -49.06 -56.39 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.661 ' HB2' HG22 ' A' ' 99' ' ' VAL . 50.4 mm-40 -89.15 11.9 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.13 42.78 0.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -68.52 -30.2 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.5 m-20 -143.65 107.56 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mmt -80.53 -36.52 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.05 97.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -61.31 -55.71 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 106' ' ' ASP . 93.5 t -39.82 -33.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -77.91 -51.72 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -33.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.7 m -73.82 -65.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.01 -43.51 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.6 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -48.09 -39.34 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.625 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -79.27 -52.13 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.7 tp -43.12 -60.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -51.22 -63.95 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -44.1 10.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.841 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.5 mt -54.54 -45.87 73.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.43 68.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' A' ' 133' ' ' PRO . 65.3 t -64.49 -39.92 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 12.6 m -63.0 -47.47 82.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 125' ' ' ASN . 50.8 mttt -56.65 -92.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 124' ' ' LYS . 5.7 t-20 78.31 99.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.17 -50.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.0 55.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.08 -48.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.738 ' CE1' ' CD1' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -74.57 116.76 15.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -94.45 37.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.515 ' HA3' ' CH2' ' A' ' 135' ' ' TRP . . . -142.87 -120.95 1.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 11.7 m-20 -140.77 148.67 53.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.413 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.04 -24.13 13.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -86.8 47.88 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.739 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.4 m0 -113.05 -46.55 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.661 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 21.0 m-85 -96.18 10.19 38.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 74.4 mmm -64.72 126.74 28.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.67 -59.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.7 m 68.42 127.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -171.8 157.67 28.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 61.63 5.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -7.68 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.7 t -104.69 -56.81 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.64 78.67 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.74 117.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.37 133.12 11.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.55 169.49 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.777 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.67 147.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.01 -85.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 57.55 167.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.0 -57.62 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -41.19 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -39.04 -55.45 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.47 -52.79 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -63.56 -56.78 13.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 111' ' ' GLN . 19.6 mt -41.52 -56.08 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG13 ' CH2' ' A' ' 39' ' ' TRP . 97.8 t -60.15 -51.41 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.672 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mm-40 -47.49 -26.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.503 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -82.73 -60.36 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -47.68 -24.75 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' GLY . 21.6 t -69.64 -56.11 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.702 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -64.94 -38.84 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.6 ' OE1' HD21 ' A' ' 53' ' ' LEU . 4.4 mm-40 -60.59 -71.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.14 -54.04 46.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.05 175.67 16.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -128.31 -44.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' HB ' HD11 ' A' ' 45' ' ' ILE . 30.1 m -72.18 -28.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.56 -156.59 29.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -120.96 167.98 11.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.562 ' CD ' HG11 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -74.99 123.59 8.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.31 144.91 27.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . 117.41 73.54 0.48 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.676 ' C ' HD23 ' A' ' 34' ' ' LEU . 2.9 mmt180 66.73 -68.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -147.43 90.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.72 -70.0 1.31 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -37.81 -58.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' HE1' ' A' ' 107' ' ' MET . 0.9 OUTLIER -43.76 -55.48 4.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 34' ' ' LEU . 85.8 t -63.97 -43.63 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.694 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.7 t90 -50.46 -38.15 42.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.798 ' O ' HD21 ' A' ' 101' ' ' LEU . 44.5 mt -111.7 44.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 50.9 tttt -108.55 -56.18 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -44.01 -41.32 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.61 -33.06 5.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.2 t -45.02 -49.56 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.453 HD11 ' HB ' ' A' ' 26' ' ' VAL . 7.5 mt -60.02 -41.75 87.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 HD21 ' A' ' 101' ' ' LEU . 39.0 mt -63.22 -49.86 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.689 ' HB2' HG11 ' A' ' 61' ' ' VAL . 59.9 p -59.29 -37.43 77.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.73 ' HE2' HG11 ' A' ' 63' ' ' VAL . 29.3 mttm -65.85 -32.3 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 21' ' ' GLN . 20.3 tp -63.08 -74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.6 p -41.62 -47.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.429 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -53.03 -58.65 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -40.52 -49.37 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD21 ' OE1' ' A' ' 21' ' ' GLN . 61.3 mt -55.02 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -39.12 138.57 0.85 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.4 Cg_endo -74.98 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.24 137.12 57.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.77 -9.94 58.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -100.85 -28.33 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -39.01 110.09 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 47' ' ' SER . 70.0 t -75.03 157.76 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -122.59 98.99 6.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.73 HG11 ' HE2' ' A' ' 48' ' ' LYS . 58.9 t -69.11 113.34 15.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.26 42.91 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.26 -56.82 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -98.95 157.97 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 73' ' ' LYS . 18.3 Cg_endo -74.98 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER 79.73 -58.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mtt -59.84 139.55 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.899 HG22 ' OH ' ' A' ' 102' ' ' TYR . 60.3 t -48.77 -74.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -38.89 -39.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -68.04 -61.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -44.41 -57.14 3.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.514 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 7.3 mmm -45.99 -42.83 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -48.22 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -42.13 -51.83 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.26 -49.41 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.96 -48.08 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -51.3 -41.83 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -75.82 -47.64 24.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.917 HD21 ' CE1' ' A' ' 96' ' ' PHE . 32.2 mt -46.38 -62.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -51.51 -41.23 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.19 -42.82 99.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -52.59 -43.79 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.94 71.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -47.6 -47.9 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.535 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 4.4 t80 -45.65 -33.44 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.809 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 124.23 39.38 0.48 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 HD12 ' A' ' 120' ' ' LEU . 44.8 t -105.27 136.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.64 HD12 ' HB ' ' A' ' 93' ' ' THR . 8.5 pt -73.69 169.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -87.96 6.57 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.64 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -103.24 -11.65 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.23 -14.7 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.441 ' HA ' HG23 ' A' ' 113' ' ' THR . 50.0 mmm -76.26 152.81 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.917 ' CE1' HD21 ' A' ' 82' ' ' LEU . 41.0 p90 -111.42 -179.89 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.8 mm-40 -103.3 128.62 50.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.2 m -36.8 -45.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.9 p -58.84 -52.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.536 ' N ' HG13 ' A' ' 99' ' ' VAL . 76.6 m-20 -41.21 -28.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.798 HD21 ' O ' ' A' ' 40' ' ' LEU . 11.3 tp -98.79 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.899 ' OH ' HG22 ' A' ' 71' ' ' VAL . 37.8 t80 -48.42 -53.96 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.553 ' HB2' HG22 ' A' ' 99' ' ' VAL . 5.7 mm-40 -97.54 18.77 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -52.41 -41.42 63.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 110' ' ' VAL . 2.0 t70 -150.34 100.61 2.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.494 ' HE1' ' HA ' ' A' ' 37' ' ' GLN . 1.5 mmt -67.92 -39.76 83.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -58.03 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -47.01 -60.53 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 110' ' ' VAL . 25.6 t -39.29 -41.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 58.8 mt-30 -74.16 -49.56 23.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -30.64 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 95' ' ' MET . 42.0 m -77.35 -61.26 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.95 -46.67 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.451 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -44.41 -40.03 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 117' ' ' LEU . . . -80.25 -53.27 6.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 116' ' ' ALA . 22.8 tp -40.38 -47.66 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.3 -66.35 2.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 t -43.03 -46.65 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.809 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.2 mt -52.67 -42.26 64.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -71.61 -32.09 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.37 -52.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.4 m -42.62 -36.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -78.22 -56.04 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.5 p30 40.42 49.14 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -52.88 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.02 57.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -131.08 -46.27 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 136' ' ' PHE . 0.5 OUTLIER -66.4 120.32 13.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -70.51 -53.14 17.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.574 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -65.22 -152.47 0.11 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.07 151.16 39.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.13 16.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -87.27 46.78 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.702 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.7 m0 -114.33 -40.12 3.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.526 ' CD1' ' OH ' ' A' ' 129' ' ' TYR . 16.3 m-85 -136.27 75.98 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.48 115.72 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -165.43 115.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.8 t -109.0 101.68 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -107.25 -151.49 17.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.46 4.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.5 t -122.21 117.91 27.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.5 p 43.92 86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -154.52 152.85 30.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.774 . . . . 0.0 109.993 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.88 139.32 43.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 61.89 2.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.37 161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.029 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.58 122.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.97 -149.79 21.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -114.87 154.33 28.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -61.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -65.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.92 -59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -41.56 -49.57 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -57.37 7.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 56.1 mt -41.28 -55.82 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.699 HG13 ' CH2' ' A' ' 39' ' ' TRP . 60.4 t -59.17 -49.93 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.656 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mm-40 -49.96 -25.57 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.554 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 25.9 t90 -83.5 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG23 ' SG ' ' A' ' 22' ' ' CYS . 11.2 mt -42.67 -29.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 15' ' ' VAL . 20.7 t -64.29 -55.2 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.754 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -66.94 -44.92 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.727 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.4 mm-40 -57.01 -67.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.421 ' SG ' HG23 ' A' ' 18' ' ' ILE . 71.1 m -63.38 -54.06 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 115.47 176.21 18.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.42 3.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.13 -47.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.5 -32.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.42 -141.73 16.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -128.85 165.82 29.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.92 163.2 35.94 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.32 177.79 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 165.67 19.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.78 161.45 0.85 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -47.71 83.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -44.68 -42.56 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.08 -70.65 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -41.76 -51.55 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HA ' ' HE1' ' A' ' 107' ' ' MET . 0.0 OUTLIER -42.75 -64.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.3 -47.09 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.699 ' CH2' HG13 ' A' ' 15' ' ' VAL . 2.8 t90 -43.48 -46.0 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.825 ' O ' HD11 ' A' ' 101' ' ' LEU . 13.8 mt -111.8 53.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -107.36 -65.86 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -41.57 -49.6 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.65 -20.97 24.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 67' ' ' PRO . 54.0 t -51.88 -49.69 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mt -60.83 -37.87 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.741 HD22 ' CE2' ' A' ' 81' ' ' PHE . 33.4 mt -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' HG11 ' A' ' 61' ' ' VAL . 95.6 p -64.5 -40.86 96.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE2' ' CG1' ' A' ' 63' ' ' VAL . 26.2 mttm -62.08 -33.16 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.727 HD12 ' HB3' ' A' ' 21' ' ' GLN . 29.7 tp -60.5 -74.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 54' ' ' TYR . 10.3 p -42.41 -45.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' SER . 1.0 OUTLIER -50.67 -59.93 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -38.45 -47.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.484 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 30.4 mt -59.6 -82.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 41.8 m-85 -37.18 149.88 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -172.85 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 8.6 pt-20 -81.86 -26.55 34.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.49 17.35 34.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -71.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 41.75 89.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.573 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.06 -61.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.473 HG11 ' HB2' ' A' ' 47' ' ' SER . 57.8 t -84.16 157.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.53 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.449 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 67.2 t -81.06 114.21 47.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -173.42 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.87 -56.35 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -129.54 153.23 80.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HB3' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 136.37 20.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.432 1.754 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.99 -177.99 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.44 -40.31 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.71 163.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 ' OH ' ' A' ' 102' ' ' TYR . 85.2 t -82.63 -63.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -38.89 -47.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -61.2 -65.32 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -44.4 -56.96 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -51.57 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.46 -54.2 48.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -39.82 -46.75 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' PHE . 78.5 t -65.41 -57.96 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.53 -46.61 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -52.08 -45.95 65.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.741 ' CE2' HD22 ' A' ' 46' ' ' LEU . 1.2 t80 -70.52 -46.86 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.718 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.8 mt -46.31 -53.5 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -59.12 -40.74 86.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 50' ' ' VAL . . . -62.72 -40.84 98.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.8 -54.47 46.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.22 -35.11 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -59.44 -46.59 88.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 120' ' ' LEU . 1.5 t80 -49.66 -55.39 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.785 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 152.08 43.07 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.33 135.23 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.903 HD12 ' OG1' ' A' ' 93' ' ' THR . 25.8 pt -58.91 174.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -91.7 -10.48 40.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.903 ' OG1' HD12 ' A' ' 91' ' ' ILE . 67.7 p -97.08 4.07 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.608 ' OD1' HD11 ' A' ' 91' ' ' ILE . 61.9 m-20 -108.31 -21.98 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.12 129.27 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 13.1 p90 -107.08 179.01 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.7 mt-30 -95.61 133.94 39.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.4 m -38.61 -42.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.604 HG22 ' HB2' ' A' ' 103' ' ' GLU . 7.4 p -62.62 -52.18 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.521 ' N ' HG13 ' A' ' 99' ' ' VAL . 73.9 m-20 -38.33 -32.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.825 HD11 ' O ' ' A' ' 40' ' ' LEU . 14.7 tp -101.03 -65.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.515 ' OH ' HG22 ' A' ' 71' ' ' VAL . 29.0 t80 -42.01 -49.49 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.604 ' HB2' HG22 ' A' ' 99' ' ' VAL . 72.0 mm-40 -104.68 23.77 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 34.68 35.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -57.51 -44.3 84.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 110' ' ' VAL . 52.0 m-20 -143.75 97.59 3.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -69.11 -38.67 79.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.81 -41.0 31.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -67.52 -54.46 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.581 HG22 ' HB2' ' A' ' 101' ' ' LEU . 57.8 t -39.55 -34.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -75.04 -52.53 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -35.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.4 m -72.27 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -28.22 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.525 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -85.58 -55.1 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.421 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -46.26 -60.52 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.554 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -48.14 -67.69 1.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -44.87 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.785 HD11 ' C ' ' A' ' 89' ' ' GLY . 1.3 mt -53.43 -47.27 69.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.29 93.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.3 t -64.58 -50.11 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.6 m -47.78 -56.05 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 125' ' ' ASN . 61.4 mttt -47.86 -58.31 4.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 124' ' ' LYS . 20.1 t30 40.56 67.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.37 -45.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 148.24 74.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -134.49 -63.16 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.722 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.578 ' CE2' ' O ' ' A' ' 131' ' ' GLY . 0.0 OUTLIER -81.66 -166.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -137.09 27.83 2.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.578 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -115.64 141.54 17.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.515 ' HB2' ' CE2' ' A' ' 135' ' ' TRP . 1.5 m-20 -54.31 151.79 12.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.47 8.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.754 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.4 m0 -119.34 -44.79 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.42 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 96.1 m-85 -139.02 76.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.3 145.13 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -147.19 152.37 38.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.03 -60.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 172.62 -164.51 36.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.156 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 81.58 2.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.1 m -51.42 -58.47 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.9 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 m -143.55 -58.67 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -112.75 89.1 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.19 63.86 0.54 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -115.64 88.55 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 p -175.2 147.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 12' ' ' GLU . . . -96.19 72.14 0.85 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -45.42 145.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -40.26 -56.2 2.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.59 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.6 OUTLIER -49.13 -68.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.49 -57.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -39.11 -49.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HD3' ' CG ' ' A' ' 136' ' ' PHE . 13.4 ttm105 -67.61 -56.76 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -40.14 -52.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' CH2' ' A' ' 39' ' ' TRP . 60.7 t -65.77 -61.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mt-10 -38.6 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.521 ' NE1' ' CE1' ' A' ' 129' ' ' TYR . 12.6 t90 -76.26 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 14' ' ' LEU . 6.7 mt -42.37 -27.8 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' TRP . 7.9 t -62.22 -53.73 43.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -65.89 -50.45 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -51.79 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.45 -53.88 50.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 110.08 178.29 20.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.44 3.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.81 -47.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' HD11 ' A' ' 45' ' ' ILE . 34.7 m -69.33 -32.59 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.58 -129.58 9.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -163.01 169.01 9.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -74.99 139.55 24.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.85 164.36 12.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' CD ' ' N ' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -58.77 176.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' N ' ' CD ' ' A' ' 31' ' ' ARG . . . 125.55 -171.43 17.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.644 ' O ' HD23 ' A' ' 34' ' ' LEU . 33.6 mtt-85 -50.43 -64.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -145.71 89.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.8 -61.09 3.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -42.38 -60.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -45.49 -49.85 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 34' ' ' LEU . 98.1 t -63.25 -42.84 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 15' ' ' VAL . 12.9 t90 -53.23 -44.02 67.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 107.999 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.769 ' O ' HD21 ' A' ' 101' ' ' LEU . 79.3 mt -106.91 42.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -104.35 -57.46 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -40.24 -54.29 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.06 -31.87 7.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.527 HG11 ' O ' ' A' ' 65' ' ' GLU . 46.9 t -49.86 -45.75 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.401 HD11 ' HB ' ' A' ' 26' ' ' VAL . 7.8 mt -60.07 -49.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.636 HD11 HD21 ' A' ' 101' ' ' LEU . 33.0 mt -53.29 -48.92 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -60.22 -40.99 92.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HD2' HG12 ' A' ' 44' ' ' VAL . 8.1 mttm -61.87 -35.23 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 21' ' ' GLN . 22.7 tp -58.43 -74.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 51' ' ' ASN . 3.3 p -45.32 -46.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 50' ' ' VAL . 8.6 m-80 -56.58 -52.98 62.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -50.5 -53.1 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' TYR . 46.9 mt -50.27 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 20.3 m-85 -36.06 145.93 0.22 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -57.73 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.95 40.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.85 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.02 101.15 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.06 -43.25 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 81' ' ' PHE . 93.2 t -93.22 152.58 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -115.26 102.1 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.81 HG22 ' H ' ' A' ' 65' ' ' GLU . 3.4 p -106.91 125.62 32.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -75.03 4.12 5.04 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.81 ' H ' HG22 ' A' ' 63' ' ' VAL . 1.4 tt0 79.7 -71.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.06 132.54 82.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.01 145.05 30.93 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.02 -88.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.74 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtt -42.38 156.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG13 ' CE2' ' A' ' 102' ' ' TYR . 36.9 t -79.27 -53.01 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -45.37 -53.57 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -55.52 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -40.06 -52.13 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -54.86 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.32 -48.34 46.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -41.22 -52.77 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -57.98 -51.85 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.47 -50.57 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -49.63 -40.51 39.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' HA ' HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -75.33 -45.16 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 25.8 mt -50.3 -52.77 33.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.97 -32.23 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.6 -38.32 67.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 86' ' ' GLU . . . -54.59 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -34.91 -48.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -56.73 10.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 7.8 t80 -41.5 -36.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.481 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 147.56 -18.39 1.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 94' ' ' ASP . 83.9 t -44.11 153.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.671 HD12 ' OG1' ' A' ' 93' ' ' THR . 8.6 pt -103.15 -170.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -99.2 -9.57 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.671 ' OG1' HD12 ' A' ' 91' ' ' ILE . 11.5 p -83.89 -20.6 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.462 ' CG ' HG13 ' A' ' 90' ' ' VAL . 6.8 p30 -102.84 -13.36 17.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.42 145.2 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 12.0 p90 -122.64 175.5 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -96.72 137.82 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -43.13 -37.3 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -68.3 -46.82 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 81.9 m-20 -44.52 -27.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 40' ' ' LEU . 20.9 tp -104.84 -63.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.594 ' CE2' HG13 ' A' ' 71' ' ' VAL . 16.7 t80 -50.44 -56.81 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.04 10.21 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.08 46.66 1.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -72.67 -42.6 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -150.46 108.55 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 43.3 mmm -83.15 -36.16 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.84 -33.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 -49.65 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 101' ' ' LEU . 54.4 t -42.45 -31.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.443 ' HG2' ' CD2' ' A' ' 14' ' ' LEU . 72.3 mt-30 -76.56 -52.63 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.33 -34.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.441 HG21 ' CE2' ' A' ' 96' ' ' PHE . 1.6 m -69.06 -55.71 9.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.415 HD13 ' HG ' ' A' ' 14' ' ' LEU . 16.5 mt -58.99 -51.34 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.59 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.43 -33.43 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.42 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 117' ' ' LEU . 13.0 tp -47.17 -62.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -44.87 -67.58 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 -46.47 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.481 HD11 ' C ' ' A' ' 89' ' ' GLY . 3.1 mt -54.59 -45.45 73.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.37 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 137' ' ' MET . 54.0 t -68.92 -40.55 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.1 m -48.08 -50.88 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.47 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 126' ' ' ASP . 23.1 p30 172.11 57.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 125' ' ' ASN . 40.4 t0 40.15 34.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.91 -78.94 0.5 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -74.39 -40.44 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.521 ' CE1' ' NE1' ' A' ' 17' ' ' TRP . 24.6 t80 -56.62 115.69 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -77.51 -42.12 36.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.571 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -60.34 -171.26 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.8 142.52 24.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.712 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -54.22 -20.62 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.704 ' HH2' HG11 ' A' ' 20' ' ' VAL . 28.3 m0 -51.78 -67.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 108.027 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.481 ' CG ' ' HD3' ' A' ' 13' ' ' ARG . 92.9 m-85 -86.11 -38.96 17.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.752 ' HB2' HG11 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -74.62 111.46 9.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.994 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -64.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.89 167.37 22.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 140.41 148.12 5.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.24 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.6 t -56.2 131.72 48.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 42.3 t -79.42 152.72 30.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.8 108.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.957 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -64.56 119.19 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.44 -108.62 1.22 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m 65.02 144.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -149.87 171.13 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.79 118.58 3.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.6 mt-10 -106.8 169.91 8.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 0.753 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.38 -36.39 68.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.63 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -78.11 -44.88 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.96 -50.68 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 2.7 mm-40 -41.0 -47.98 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -60.93 -53.41 57.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.714 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -40.47 -55.87 2.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.836 HG13 ' CH2' ' A' ' 39' ' ' TRP . 43.2 t -62.71 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.724 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.3 mt-10 -41.96 -31.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 18.3 t90 -78.06 -65.51 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mt -43.71 -27.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLY . 24.5 t -66.81 -54.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.764 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.2 m -66.5 -37.76 80.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.551 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.5 mm-40 -61.58 -70.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.4 m -63.92 -53.8 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.31 179.1 16.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.37 3.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.81 -52.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.9 m -63.84 -33.63 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.45 -149.26 20.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -129.61 169.05 14.19 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo -75.03 116.83 4.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.79 136.14 55.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 171.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' ARG . . . 102.58 144.4 14.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -36.41 140.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD12 ' NH1' ' A' ' 33' ' ' ARG . 0.1 OUTLIER 46.49 94.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.26 -58.38 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.597 1.186 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 59.6 t80 -53.39 -42.49 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -50.29 -58.85 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.94 -44.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.836 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.2 t90 -46.82 -39.3 11.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.775 ' O ' HD11 ' A' ' 101' ' ' LEU . 50.8 mt -112.32 47.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -109.48 -58.13 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -40.3 -58.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.44 -34.8 4.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.712 HG13 ' CG2' ' A' ' 63' ' ' VAL . 79.1 t -46.64 -45.26 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.72 -57.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD11 HD21 ' A' ' 101' ' ' LEU . 27.9 mt -50.51 -42.39 54.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.437 ' HB2' HG11 ' A' ' 61' ' ' VAL . 83.1 p -66.95 -40.0 87.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -62.43 -35.39 79.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 21' ' ' GLN . 22.0 tp -59.79 -71.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -45.43 -46.04 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.05 -53.16 59.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.1 p -39.75 -46.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.59 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 35.2 m-85 -43.86 134.03 3.95 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.2 25.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -50.91 133.22 27.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.71 -30.31 7.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.55 -16.05 50.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.09 101.57 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -70.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.493 HG21 ' HA ' ' A' ' 81' ' ' PHE . 67.6 t -56.39 158.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -117.56 103.32 9.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.712 ' CG2' HG13 ' A' ' 44' ' ' VAL . 1.3 p -117.32 118.95 35.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.76 -50.88 71.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -98.36 145.97 30.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.07 144.24 29.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.97 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.11 -47.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.12 146.03 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.87 -71.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -40.17 -32.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -65.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -48.41 -54.7 13.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -42.71 39.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.3 -43.08 82.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -46.4 -49.77 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.24 -53.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.08 -49.29 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.401 ' HB3' HG13 ' A' ' 61' ' ' VAL . 72.2 mt-30 -50.64 -44.64 57.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.493 ' HA ' HG21 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -72.48 -45.72 58.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -48.24 -54.0 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -60.42 -39.62 88.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.7 95.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.73 -29.61 70.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -51.91 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -35.56 51.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.8 -50.29 63.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.886 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 142.13 43.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.458 HG22 HD12 ' A' ' 120' ' ' LEU . 79.5 t -106.94 133.58 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.68 HD11 ' OD1' ' A' ' 94' ' ' ASP . 29.2 pt -58.39 -172.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -108.07 -2.58 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.625 ' OG1' HD12 ' A' ' 91' ' ' ILE . 13.0 p -104.83 3.18 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.68 ' OD1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.44 -14.95 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.42 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 66.6 mmm -84.98 158.93 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 47.5 p90 -125.44 175.45 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -94.43 136.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 9.9 m -36.72 -50.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.8 p -55.1 -53.05 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.527 ' N ' HG13 ' A' ' 99' ' ' VAL . 20.7 m-20 -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.775 HD11 ' O ' ' A' ' 40' ' ' LEU . 19.4 tp -99.51 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.01 -54.96 5.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HB2' HG22 ' A' ' 99' ' ' VAL . 39.6 mm-40 -100.08 22.63 11.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.57 35.86 0.23 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -28.53 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.41 100.1 1.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -40.47 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.58 -29.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -77.78 -50.6 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 60.6 t -40.84 -29.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.446 ' N ' ' C ' ' A' ' 109' ' ' ALA . 84.6 mt-30 -76.61 -54.37 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -37.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.7 m -64.8 -65.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 14' ' ' LEU . 6.2 mt -50.12 -53.54 26.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.63 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.76 -26.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.483 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -93.11 -57.52 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.3 tp -42.31 -62.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.564 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -44.5 -64.78 1.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -41.25 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.886 HD11 ' O ' ' A' ' 89' ' ' GLY . 4.2 mt -62.11 -48.6 79.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.69 81.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 133' ' ' PRO . 53.0 t -70.78 -51.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 14.0 m -45.39 -50.57 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -53.88 -58.86 5.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 41.91 90.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -147.55 -53.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.57 52.42 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -128.1 -57.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.507 ' CE1' ' CE2' ' A' ' 17' ' ' TRP . 2.5 t80 -62.54 162.71 9.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 54.5 mmt-85 -125.74 -47.01 1.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.573 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -67.1 -154.47 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -96.6 144.48 27.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.406 ' HB3' HG13 ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -44.47 -27.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.764 ' HH2' HG11 ' A' ' 20' ' ' VAL . 37.1 m0 -49.67 -52.52 30.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 135' ' ' TRP . 14.9 m-85 -134.32 76.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.1 151.35 22.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.49 149.23 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.66 166.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -170.36 -147.56 5.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.65 4.96 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.6 p -177.6 119.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.09 -61.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.68 152.27 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -120.45 135.33 55.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.42 137.49 7.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.83 101.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.794 . . . . 0.0 109.987 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -59.23 130.54 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.967 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.74 69.43 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 54.41 172.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.78 -54.59 3.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -61.51 1.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -61.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -41.36 -55.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -61.75 -54.53 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 20.6 mt -41.06 -54.37 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.921 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 47.0 t -61.14 -50.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.708 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.3 mm-40 -44.64 -26.7 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.498 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -81.65 -59.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mt -48.78 -23.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 38.9 t -71.32 -53.45 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.13 -38.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.788 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.0 mm-40 -64.22 -71.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.7 m -61.18 -53.48 56.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.79 176.96 20.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.02 -45.6 1.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.15 -30.04 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.14 -143.86 16.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.454 1.097 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -141.74 170.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.03 160.94 39.47 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -173.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -53.16 171.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -72.41 114.53 4.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' C ' HD23 ' A' ' 34' ' ' LEU . 3.4 mmt180 159.31 -71.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD23 ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -144.44 89.65 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.42 -54.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -52.35 -44.41 65.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -49.83 72.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.31 -36.34 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.921 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 3.2 t90 -54.53 -38.05 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.817 ' O ' HD11 ' A' ' 101' ' ' LEU . 26.1 mt -112.52 43.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 41.0 tttt -108.52 -59.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -40.5 -51.42 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.83 -29.5 11.2 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 68' ' ' PRO . 40.1 t -45.56 -55.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 48' ' ' LYS . 6.1 mt -55.91 -58.3 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 81' ' ' PHE . 25.3 mt -49.1 -41.54 36.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.428 ' HB3' HG11 ' A' ' 61' ' ' VAL . 63.9 m -66.17 -28.74 69.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.748 ' HE2' HG11 ' A' ' 63' ' ' VAL . 35.4 mttm -76.92 -37.96 54.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HB3' ' A' ' 21' ' ' GLN . 14.4 tp -58.81 -71.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 51' ' ' ASN . 14.0 p -41.74 -47.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 50' ' ' VAL . 2.9 m-20 -58.5 -53.49 57.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -43.14 -40.59 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.788 HD21 ' OE1' ' A' ' 21' ' ' GLN . 40.3 mt -65.54 -80.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.557 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.1 m-85 -36.49 152.97 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.3 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 7.0 pt-20 -91.27 -23.29 20.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.81 19.72 28.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -130.98 -69.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 mptm? 42.22 85.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -75.0 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.767 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -89.49 165.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.363 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.494 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -130.7 98.79 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.748 HG11 ' HE2' ' A' ' 48' ' ' LYS . 50.1 t -73.08 113.96 26.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -48.68 -48.54 39.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -98.6 152.89 38.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.03 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.2 OUTLIER 84.6 -63.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.3 mtt -56.43 153.2 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.41 -69.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -44.36 -40.94 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 34.1 mmtt -68.1 -59.77 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -48.81 -54.23 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.33 -49.22 64.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.23 -51.14 70.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -42.56 -47.98 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.12 -50.6 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.62 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -49.56 -41.79 42.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.558 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.94 -46.29 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.833 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 37.5 mt -49.72 -62.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -53.09 -40.47 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.95 97.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.66 68.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -55.2 37.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' TYR . 6.5 m-20 -45.05 -54.33 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 6.2 t80 -37.03 -35.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.421 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 141.93 -14.31 2.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' OD2' ' A' ' 94' ' ' ASP . 76.7 t -48.93 150.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.692 HD12 ' OG1' ' A' ' 93' ' ' THR . 14.3 pt -96.46 -171.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.16 0.56 34.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.692 ' OG1' HD12 ' A' ' 91' ' ' ILE . 8.4 p -100.26 -12.49 19.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.556 ' OD2' HG13 ' A' ' 90' ' ' VAL . 14.4 p30 -108.57 -12.6 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 56.9 mmm -81.28 146.46 30.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.833 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.5 p90 -110.86 -176.65 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' ASP . 8.9 mt-30 -100.91 134.22 44.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.0 m -38.62 -38.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 100' ' ' ASP . 6.5 p -67.45 -52.1 45.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.508 ' N ' HG13 ' A' ' 99' ' ' VAL . 84.5 m-20 -40.48 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 40' ' ' LEU . 10.8 tp -100.47 -63.36 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.434 ' CE1' ' HE3' ' A' ' 41' ' ' LYS . 22.5 t80 -42.44 -56.56 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' LYS . 2.2 mm-40 -99.9 21.58 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.99 29.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.2 mmtt -49.83 -28.65 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -160.41 100.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.92 -45.84 69.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.56 -48.45 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -58.24 -57.07 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.56 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 64.7 t -39.66 -34.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -79.05 -50.5 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -43.54 -32.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -71.72 -66.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.5 mt -47.21 -47.53 24.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -35.03 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.59 -46.67 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 117' ' ' LEU . 13.9 tp -46.16 -58.72 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -56.57 -59.73 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.98 -41.45 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -55.98 -46.92 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.545 ' HB1' ' CD2' ' A' ' 129' ' ' TYR . . . -70.18 -31.07 68.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 133' ' ' PRO . 60.0 t -62.79 -42.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -57.32 -65.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.434 ' CD ' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -60.82 -56.14 24.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 124' ' ' LYS . 24.2 t-20 76.4 -57.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -94.48 60.97 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.29 -45.67 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 p30 168.98 42.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.776 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.545 ' CD2' ' HB1' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -97.62 126.1 42.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.957 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.405 ' HB3' HG23 ' A' ' 20' ' ' VAL . 6.2 mmt-85 -81.19 -73.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -57.55 -158.38 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 4.6 m-20 -92.85 146.26 31.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.444 ' O ' HG22 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.0 -22.83 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -87.78 45.16 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.608 ' HH2' HG11 ' A' ' 20' ' ' VAL . 16.3 m0 -109.05 -42.66 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 108.005 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 28.4 m-85 -94.34 -25.57 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.98 143.86 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.7 154.57 24.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.74 112.24 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 161.41 -165.93 35.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 154.11 42.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.9 t -118.66 86.3 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.4 p -41.67 127.01 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.2 113.59 14.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -48.35 145.9 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.21 -68.17 0.37 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -84.35 167.78 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 0.73 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t 64.3 123.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.58 152.08 28.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -79.62 158.84 26.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -57.97 10.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.5 OUTLIER -42.38 -64.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 4.3 tt0 -38.75 -56.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.35 -51.39 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -66.87 -54.71 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 18' ' ' ILE . 48.7 mt -41.36 -55.45 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG13 ' CH2' ' A' ' 39' ' ' TRP . 87.3 t -59.8 -50.98 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mm-40 -45.24 -26.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.677 ' CZ3' HD21 ' A' ' 49' ' ' LEU . 18.2 t90 -85.35 -68.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.0 mt -40.95 -27.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' N ' ' C ' ' A' ' 17' ' ' TRP . 10.1 t -65.81 -56.46 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.732 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.4 m -60.49 -46.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 1.7 mm-40 -55.53 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' HG23 ' A' ' 45' ' ' ILE . 44.6 m -55.0 -52.61 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 112.22 176.88 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.59 3.68 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.69 -45.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 m -70.5 -32.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.85 -139.95 14.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -142.44 162.36 45.23 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.01 168.14 25.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.08 161.87 13.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -66.17 -176.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.53 6.91 89.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.63 -59.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.36 -38.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.34 -49.97 6.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 36.2 t80 -48.38 -55.26 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -42.41 -68.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -40.46 -43.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CH2' HG13 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -52.83 -52.22 57.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.707 ' O ' HD21 ' A' ' 101' ' ' LEU . 11.8 mt -106.0 47.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -99.12 -62.94 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -53.92 -49.57 68.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -17.33 31.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 67' ' ' PRO . 34.7 t -47.05 -60.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.565 HG23 ' SG ' ' A' ' 22' ' ' CYS . 68.9 mt -54.7 -47.23 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 40' ' ' LEU . 18.5 mt -52.01 -42.93 63.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.555 ' OG ' HG11 ' A' ' 61' ' ' VAL . 34.9 m -66.52 -36.14 81.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HE2' HG11 ' A' ' 63' ' ' VAL . 18.4 mttm -62.93 -34.39 77.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.677 HD21 ' CZ3' ' A' ' 17' ' ' TRP . 20.8 tp -63.48 -70.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 51' ' ' ASN . 10.9 p -44.12 -48.41 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.0 m-80 -52.33 -56.18 16.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 p -43.05 -49.44 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 65.9 mt -54.18 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 60' ' ' PRO . 26.3 m-85 -35.75 143.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 168.7 24.25 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 139.2 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.29 -38.65 3.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -88.45 45.53 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.951 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.41 114.15 51.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 -59.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG11 ' OG ' ' A' ' 47' ' ' SER . 91.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -112.53 106.09 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG11 ' HE2' ' A' ' 48' ' ' LYS . 88.6 t -72.27 117.21 56.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.04 32.16 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.94 -66.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -110.81 157.39 38.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.06 141.3 26.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.94 173.59 14.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.67 -48.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.2 mmt -42.46 160.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 ' OH ' ' A' ' 102' ' ' TYR . 76.6 t -73.2 -68.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.88 -47.0 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -63.5 -67.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.6 -52.85 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.406 ' CE ' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -53.66 -55.32 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -43.62 -48.36 7.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 82' ' ' LEU . 97.2 t -64.22 -51.62 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.15 -42.62 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.1 -46.1 79.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 46' ' ' LEU . 9.2 t80 -72.11 -43.03 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.8 mt -52.17 -62.96 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -53.99 -38.46 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.44 96.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -57.21 -49.6 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -47.59 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.08 -41.06 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.44 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 2.9 t80 -53.61 -52.48 59.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.838 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 146.09 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -104.33 131.02 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.745 HD12 ' OG1' ' A' ' 93' ' ' THR . 27.5 pt -56.97 -171.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -3.74 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.745 ' OG1' HD12 ' A' ' 91' ' ' ILE . 79.2 p -102.55 1.12 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -112.04 -13.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.47 139.53 32.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 26.4 p90 -106.82 174.1 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.2 mt-30 -92.64 136.81 32.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -38.85 -37.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.9 p -68.4 -52.42 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 99' ' ' VAL . 94.5 m-20 -39.41 -30.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.707 HD21 ' O ' ' A' ' 40' ' ' LEU . 21.9 tp -100.59 -64.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.672 ' OH ' HG22 ' A' ' 71' ' ' VAL . 25.5 t80 -44.58 -53.1 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.642 ' HB2' HG22 ' A' ' 99' ' ' VAL . 10.9 mm-40 -97.65 20.12 12.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.81 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.4 mtpt -59.7 -31.68 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -150.74 111.39 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.29 -52.99 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.58 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -64.69 -56.13 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 101' ' ' LEU . 48.9 t -40.07 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 96.3 mt-30 -80.48 -52.82 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -34.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 m -70.48 -66.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.4 mt -48.68 -47.55 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.471 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -41.91 -37.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.24 -56.34 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 88' ' ' TYR . 15.0 tp -41.65 -55.83 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -53.29 -66.09 2.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -45.42 -44.62 12.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.8 mt -55.74 -50.64 69.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.917 HG11 ' HB2' ' A' ' 137' ' ' MET . 35.1 t -67.62 -50.91 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.3 m -41.39 -51.43 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -64.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 42.43 86.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -155.68 -50.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -175.59 63.33 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -142.76 -62.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.58 137.89 29.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 20' ' ' VAL . 6.3 ttt180 -88.29 -36.85 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.576 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -83.43 -113.4 0.55 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 14.5 m-20 -137.53 150.85 69.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.35 7.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -82.31 52.43 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.732 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.4 m0 -118.01 -63.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.989 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -80.0 -57.26 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.917 ' HB2' HG11 ' A' ' 122' ' ' VAL . 3.5 ttt -52.03 153.6 2.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp 51.77 89.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.6 t -177.35 113.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 103.61 156.68 24.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.75 35.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 t 60.96 163.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.89 124.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -41.15 114.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -141.86 130.64 22.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.39 76.29 1.01 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -62.9 149.35 44.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -176.04 162.41 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.95 168.93 11.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.148 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -54.57 170.02 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -56.97 -64.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.26 -59.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.25 -62.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.81 -50.48 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.55 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -42.56 -56.91 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.9 t -57.83 -54.57 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 20' ' ' VAL . 6.1 mt-10 -44.36 -29.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.2 t90 -81.24 -53.46 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.04 -19.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 15' ' ' VAL . 71.5 t -77.03 -51.26 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.742 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -68.05 -40.78 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.675 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.8 mm-40 -60.74 -69.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.87 -53.81 44.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.96 175.11 17.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.22 4.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.41 -46.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -70.74 -31.7 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.27 -142.96 16.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -125.04 172.28 6.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.587 ' HG3' HG21 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.98 171.59 18.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.12 176.64 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 160.37 29.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.49 153.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -47.48 -50.6 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 1.4 mt -40.51 -50.67 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.96 -61.9 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.113 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -37.88 -56.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.757 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG2' HD12 ' A' ' 101' ' ' LEU . 1.8 tm0? -46.62 -48.14 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.13 -45.92 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.619 ' CH2' HG13 ' A' ' 15' ' ' VAL . 10.5 t90 -48.82 -36.98 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.812 ' O ' HD11 ' A' ' 101' ' ' LEU . 13.7 mt -112.42 49.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -107.61 -57.03 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -41.27 -55.81 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.99 -37.48 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.854 HG13 ' CG2' ' A' ' 63' ' ' VAL . 77.6 t -43.12 -50.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.796 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.4 mt -57.49 -58.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 46' ' ' LEU . 23.9 mt -50.68 -50.71 54.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -57.23 -37.16 71.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HG3' HG21 ' A' ' 63' ' ' VAL . 23.0 mttm -64.29 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.651 HD12 ' HB3' ' A' ' 21' ' ' GLN . 24.2 tp -57.48 -73.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 51' ' ' ASN . 14.2 p -43.91 -47.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.8 m-80 -53.96 -54.99 31.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -45.52 -41.86 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.937 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.772 HD22 ' OD1' ' A' ' 128' ' ' ASN . 84.2 mt -60.62 -85.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 58.9 m-85 -36.34 153.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.26 39.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 3.9 pt-20 -57.17 -37.18 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.19 37.69 3.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -174.31 44.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.4 mptm? -75.32 113.88 30.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.576 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.02 -69.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 80' ' ' GLN . 46.7 t -81.78 163.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 61' ' ' VAL . 49.5 mttt -125.07 99.77 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.854 ' CG2' HG13 ' A' ' 44' ' ' VAL . 2.5 p -98.51 114.32 65.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.87 -57.52 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -84.83 145.76 44.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.02 147.77 34.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HD3' ' CG2' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 139.15 23.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.91 -51.08 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.53 132.67 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.713 HG13 ' OH ' ' A' ' 102' ' ' TYR . 72.6 t -54.01 -61.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -39.11 -54.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.07 -65.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -39.77 -61.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.5 mtp -44.57 -45.23 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -50.54 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.562 ' OE1' HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.95 -45.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' PHE . 89.2 t -69.18 -56.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.53 -45.19 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.466 ' CB ' HG13 ' A' ' 61' ' ' VAL . 69.9 mt-30 -53.23 -45.51 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.5 t80 -71.08 -45.76 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.039 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.7 mt -47.56 -59.15 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -57.55 -40.08 78.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.36 84.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -65.63 -49.64 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.14 -45.3 61.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -45.37 78.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.523 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.8 t80 -42.53 -30.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.821 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 120.83 36.08 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.0 t -91.87 157.54 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 93' ' ' THR . 38.2 pt -76.04 -175.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.79 -5.79 17.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 91' ' ' ILE . 12.0 p -99.63 1.2 43.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.637 ' OD1' HD11 ' A' ' 91' ' ' ILE . 6.2 m-20 -109.23 -21.4 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.99 142.75 58.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 1.039 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 38.3 p90 -116.17 174.52 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.45 141.82 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 m -47.33 -35.75 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -69.17 -45.71 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.421 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 70.3 m-20 -44.37 -27.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 ' O ' ' A' ' 40' ' ' LEU . 35.9 tp -104.66 -61.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.713 ' OH ' HG13 ' A' ' 71' ' ' VAL . 9.7 t80 -47.08 -53.38 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLY . 2.8 mm-40 -99.17 18.37 17.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.23 42.79 0.89 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -71.52 -31.29 66.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -153.13 90.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 107' ' ' MET . 0.7 OUTLIER -74.04 -45.39 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 107' ' ' MET . . . -47.44 -37.76 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -67.79 -52.9 31.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 51.6 t -39.4 -37.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' ARG . 45.1 mt-30 -69.51 -51.59 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' ALA . 1.7 ttm180 -38.29 -34.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.443 HG21 ' HE1' ' A' ' 96' ' ' PHE . 1.3 m -75.38 -56.73 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.4 mt -52.22 -50.69 61.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -40.8 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.69 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 88' ' ' TYR . 20.4 tp -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -61.39 -65.37 3.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -48.94 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.821 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.5 mt -53.72 -48.42 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -68.32 -22.2 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 118' ' ' GLY . 60.3 t -78.65 -58.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.2 m -46.81 -33.4 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -57.29 -50.32 73.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 63.21 101.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 60.58 52.22 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -118.27 -35.78 0.99 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.772 ' OD1' HD22 ' A' ' 53' ' ' LEU . 9.7 p30 -163.27 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' ASN . 1.2 t80 -37.07 155.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.9 -47.62 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.238 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.74 -148.47 0.9 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.27 137.76 22.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.674 ' HB2' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.95 -34.45 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -51.17 -22.72 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.742 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.8 m0 -51.74 -36.43 47.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.563 ' O ' HG21 ' A' ' 122' ' ' VAL . 11.5 m-85 -140.43 78.96 1.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -47.04 18.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 160.05 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.8 p -118.71 -61.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.6 -150.82 5.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.72 7.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -111.02 108.58 18.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.19 149.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -174.23 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 0.776 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -144.38 123.66 13.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.08 159.88 22.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 p -164.76 128.4 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.61 -59.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.42 178.63 41.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.08 160.67 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.27 -19.75 56.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.692 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -85.61 -48.83 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 5.1 tt0 -57.15 -45.91 83.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 1.6 mm-40 -38.6 -50.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -56.66 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -40.84 -54.25 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.712 HG13 ' CH2' ' A' ' 39' ' ' TRP . 22.0 t -66.39 -62.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.713 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.4 mt-10 -41.02 -34.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.5 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 19.8 t90 -74.43 -61.39 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 14' ' ' LEU . 8.6 mt -45.77 -27.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 47.9 t -68.51 -53.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.1 m -69.79 -36.38 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.592 ' HB3' HD12 ' A' ' 49' ' ' LEU . 3.2 mm-40 -65.22 -68.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.8 -51.57 54.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 118.5 175.45 16.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.1 3.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -126.07 -51.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.9 m -64.3 -30.92 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.59 -149.35 21.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -130.65 170.68 10.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo -74.99 157.47 42.78 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -172.58 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.33 158.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -63.39 -154.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.753 ' C ' HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 68.36 -64.8 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 110.325 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.753 HD23 ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -150.54 91.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.36 -67.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 40' ' ' LEU . 55.2 t80 -46.77 -50.32 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -48.56 -44.74 36.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.82 -35.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.712 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.3 t90 -54.8 -44.7 74.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.825 ' O ' HD21 ' A' ' 101' ' ' LEU . 13.0 mt -107.68 43.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -103.2 -53.4 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 0.8 OUTLIER -47.0 -55.23 8.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.05 -30.65 8.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -47.79 -45.4 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -54.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 81' ' ' PHE . 20.6 mt -50.2 -50.36 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.516 ' HB3' HG11 ' A' ' 61' ' ' VAL . 73.7 m -61.34 -34.82 75.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.05 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 52' ' ' SER . 18.8 mttm -67.42 -35.93 80.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 21' ' ' GLN . 30.8 tp -57.21 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.3 p -41.82 -49.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 50' ' ' VAL . 1.7 m-80 -46.22 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -41.64 -52.34 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.03 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 50' ' ' VAL . 34.4 mt -51.25 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 42.5 m-85 -45.81 136.32 6.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.1 Cg_endo -75.03 -176.17 2.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 1.6 mt-10 -63.02 136.04 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.97 -12.43 57.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' LYS . 6.8 t -98.71 -27.51 13.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -37.72 108.21 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.496 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 47' ' ' SER . 60.6 t -80.8 162.2 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.44 ' N ' HG12 ' A' ' 61' ' ' VAL . 7.0 mttm -131.86 97.08 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 t -64.33 112.28 7.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.72 34.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.12 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -87.6 129.12 52.11 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.77 37.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.08 -45.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -61.82 138.86 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.698 HG13 ' H ' ' A' ' 72' ' ' PHE . 0.9 OUTLIER -43.2 -70.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.698 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.1 m-85 -50.85 -20.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.3 mmtp -82.72 -70.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' MET . 69.4 mt-30 -50.68 -42.99 57.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -44.37 36.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.71 -42.51 88.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.562 HG11 HD23 ' A' ' 101' ' ' LEU . 38.8 t -72.73 -39.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.32 -49.1 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' HB3' HG22 ' A' ' 61' ' ' VAL . 77.0 mt-30 -51.25 -46.7 62.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.3 t80 -69.46 -43.4 73.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.9 mt -50.81 -54.77 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -59.62 -39.5 84.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.58 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -57.37 -46.13 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.35 -53.81 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 117' ' ' LEU . 3.0 t80 -52.71 -50.48 63.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.892 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 141.71 44.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.473 HG22 HD12 ' A' ' 120' ' ' LEU . 78.4 t -104.86 132.25 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.456 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 10.1 pt -56.11 -176.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.44 -1.45 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.8 p -103.99 -1.29 27.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.572 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -107.73 -18.04 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 59.3 mmm -80.52 139.14 36.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 54.2 p90 -103.02 176.72 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.2 mt-30 -96.87 135.33 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.0 m -36.92 -44.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.8 p -60.95 -52.57 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.522 ' N ' HG13 ' A' ' 99' ' ' VAL . 73.3 m-20 -41.12 -29.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.825 HD21 ' O ' ' A' ' 40' ' ' LEU . 16.7 tp -96.68 -63.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 6.6 t80 -46.96 -54.25 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.566 ' HB2' HG22 ' A' ' 99' ' ' VAL . 32.5 mm-40 -83.14 -17.57 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.95 27.92 73.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -59.29 -68.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.76 100.21 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.22 -46.2 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.32 -37.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 96' ' ' PHE . . . -67.92 -55.89 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . 78.0 t -40.58 -29.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 109' ' ' ALA . 77.6 mt-30 -84.3 -52.67 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -34.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.402 HG23 ' SD ' ' A' ' 95' ' ' MET . 27.7 m -67.72 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.414 ' CB ' ' HG ' ' A' ' 14' ' ' LEU . 17.0 mt -51.91 -45.45 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.692 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -47.19 -37.07 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.572 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -84.81 -48.94 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 88' ' ' TYR . 13.6 tp -45.82 -62.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.5 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.65 -61.01 6.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.51 -44.07 17.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.892 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.5 mt -52.27 -49.55 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.56 72.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.428 HG23 ' CE2' ' A' ' 129' ' ' TYR . 39.8 t -71.88 -46.75 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.1 m -54.35 -42.66 70.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -48.94 -95.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 125' ' ' ASN . 9.1 p-10 -170.36 42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.0 t0 43.78 30.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.13 -70.95 1.12 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -69.93 -43.59 71.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.428 ' CE2' HG23 ' A' ' 122' ' ' VAL . 2.0 t80 -45.22 129.74 7.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -86.44 -56.91 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -57.9 -157.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 0.4 OUTLIER -94.2 156.54 38.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.9 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -81.74 53.17 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.699 ' HH2' HG11 ' A' ' 20' ' ' VAL . 10.8 m0 -114.52 -57.46 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -82.71 -33.37 27.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.5 mmm -103.0 93.01 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 136.43 15.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.75 121.19 25.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.056 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.05 172.54 26.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.16 21.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.59 145.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.94 123.95 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p -91.29 75.96 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.731 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.52 -62.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.03 -112.82 0.68 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.28 164.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 m -44.21 161.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.87 -56.61 2.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.38 169.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -49.81 -36.15 25.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.846 HD13 ' SD ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -47.56 -53.56 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' OE2' ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -66.04 -60.76 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 2.5 mt-10 -38.46 -48.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -53.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD23 ' HZ ' ' A' ' 136' ' ' PHE . 27.1 mt -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.756 HG13 ' CH2' ' A' ' 39' ' ' TRP . 61.1 t -59.93 -53.91 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.751 ' O ' HG13 ' A' ' 20' ' ' VAL . 13.7 mt-10 -46.31 -29.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.573 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 5.9 t90 -78.72 -65.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.6 mt -45.18 -25.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 15' ' ' VAL . 25.6 t -69.23 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.59 -39.93 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.573 ' NE2' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -60.3 -71.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 77.1 m -62.63 -48.45 79.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.26 179.25 20.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.9 3.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.77 -45.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.76 -24.57 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.25 -140.33 17.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.147 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -148.34 165.26 18.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.516 ' CD ' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 167.66 26.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -92.97 172.67 8.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 171.34 7.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.38 159.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.556 1.16 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -57.03 179.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 0.802 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER 77.74 -55.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -37.66 -63.34 0.86 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.085 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.457 ' CD2' ' OE2' ' A' ' 11' ' ' GLU . 41.4 t80 -52.86 -51.06 62.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.413 ' HG3' ' HE3' ' A' ' 107' ' ' MET . 0.2 OUTLIER -47.4 -58.67 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 84.8 t -54.4 -43.05 61.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.756 ' CH2' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -49.91 -42.62 48.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.772 ' O ' HD11 ' A' ' 101' ' ' LEU . 55.4 mt -109.57 44.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 23.1 tttt -107.95 -58.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.1 -58.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.58 -38.77 2.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.639 HG22 ' OE1' ' A' ' 77' ' ' GLN . 48.3 t -42.29 -55.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mt -51.25 -61.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 29.1 mt -44.53 -52.04 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.8 m -57.47 -40.35 78.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.812 ' HG3' HG21 ' A' ' 63' ' ' VAL . 18.7 mttt -65.2 -34.78 79.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -74.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 51' ' ' ASN . 7.4 p -44.91 -48.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.469 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.6 m-80 -54.57 -55.22 31.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 p -46.96 -52.01 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 32.9 mt -53.66 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 10.7 m-85 -34.94 149.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 176.03 10.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.83 141.19 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -41.08 3.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.3 m -85.36 47.71 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -85.85 113.6 52.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.0 -61.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 81' ' ' PHE . 61.2 t -91.41 148.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 100.44 9.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.812 HG21 ' HG3' ' A' ' 48' ' ' LYS . 2.6 p -94.6 116.09 66.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.72 43.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.571 1.827 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.89 -58.16 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -77.51 133.6 67.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 149.72 37.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.1 Cg_endo -74.98 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.06 -58.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.4 mtt -46.14 148.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.8 t -58.52 -64.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -43.71 -42.28 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -63.52 -64.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -49.13 -52.74 24.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -50.92 56.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -57.05 -53.1 61.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.639 ' OE1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -38.84 -48.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.62 -55.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.53 -48.8 5.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HB3' HG13 ' A' ' 61' ' ' VAL . 35.7 mt-30 -50.95 -44.72 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.746 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -51.37 -60.91 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -54.78 -41.28 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.19 95.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -52.2 -49.51 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 89' ' ' GLY . 0.7 OUTLIER -47.98 -60.85 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -39.73 -50.77 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 6.0 t80 -41.84 -40.8 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . 149.22 -19.16 1.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.894 HG13 ' OD2' ' A' ' 94' ' ' ASP . 72.4 t -43.72 141.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.794 HD12 ' OG1' ' A' ' 93' ' ' THR . 31.3 pt -79.16 -168.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -10.56 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.794 ' OG1' HD12 ' A' ' 91' ' ' ILE . 33.0 p -93.45 -1.08 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.894 ' OD2' HG13 ' A' ' 90' ' ' VAL . 24.0 p-10 -112.43 -19.01 12.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.469 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 32.9 mmm -71.57 143.63 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.746 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 17.3 p90 -114.88 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.5 mt-30 -96.39 138.24 34.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' GLN . 53.4 m -38.42 -37.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 100' ' ' ASP . 6.0 p -66.67 -51.62 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.506 ' N ' HG13 ' A' ' 99' ' ' VAL . 92.5 m-20 -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 40' ' ' LEU . 19.7 tp -102.9 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 103' ' ' GLU . 23.9 t80 -41.05 -52.81 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 102' ' ' TYR . 40.8 mm-40 -107.61 28.2 8.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.67 33.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.456 ' CB ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -50.17 -26.12 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -170.01 101.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.413 ' HE3' ' HG3' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -73.97 -32.49 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.18 -47.6 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 111' ' ' GLN . . . -69.63 -51.45 34.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.571 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 78.5 t -39.5 -31.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 109' ' ' ALA . 31.6 mt-30 -80.53 -54.35 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.15 -36.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -67.9 -63.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.92 -51.83 64.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.846 ' SD ' HD13 ' A' ' 10' ' ' LEU . 59.9 mmm -45.23 -30.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.49 -42.41 16.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 117' ' ' LEU . 14.3 tp -52.99 -60.53 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.17 -65.7 2.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -42.81 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -66.07 -32.21 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.913 HG13 ' CB ' ' A' ' 133' ' ' PRO . 38.9 t -72.61 -46.9 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m -48.84 -56.37 8.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -54.14 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 t30 57.03 93.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.4 -52.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.9 48.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.27 -52.42 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -66.51 96.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -63.81 -27.72 69.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.475 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -81.49 -161.1 26.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.53 139.33 20.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.913 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -74.97 -33.13 4.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -21.15 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.596 ' HH2' HG11 ' A' ' 20' ' ' VAL . 20.2 m0 -52.63 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.038 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.692 ' HZ ' HD23 ' A' ' 14' ' ' LEU . 79.1 m-85 -88.54 -35.33 17.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.431 ' HB2' HG11 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -58.29 104.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -91.26 126.97 36.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.6 p -86.56 162.12 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 155.54 158.41 8.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 58.54 4.9 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.19 132.34 14.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 74.9 m -101.6 118.28 36.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -133.49 119.68 19.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.6 160.84 20.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.71 159.08 28.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.99 165.83 22.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 m -144.32 144.53 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.52 165.4 1.42 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.1 mt-10 -80.71 171.05 15.51 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 0.769 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -46.44 -60.44 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -63.45 -52.13 62.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -51.33 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 3.0 mm-40 -41.07 -48.85 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -62.34 -54.11 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 25.2 mt -40.89 -53.84 2.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.83 HG13 ' CH2' ' A' ' 39' ' ' TRP . 57.7 t -61.34 -53.35 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.769 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.3 mm-40 -43.32 -28.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 22.0 t90 -79.91 -64.55 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 mt -42.72 -27.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 42.9 t -69.2 -50.87 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -66.09 -38.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.693 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.9 mm-40 -66.56 -71.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -60.63 -52.64 64.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 116.87 178.51 17.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.97 3.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.31 -51.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 45' ' ' ILE . 15.4 m -63.23 -32.58 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.94 -148.43 25.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.31 172.86 3.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.546 ' HD3' HG11 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.99 145.2 31.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.29 152.24 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 172.63 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.87 165.95 6.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -58.24 173.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER 52.78 20.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.83 -65.09 2.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLN . 30.3 t80 -47.29 -60.76 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG2' HD12 ' A' ' 101' ' ' LEU . 1.2 tm0? -37.86 -58.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 34' ' ' LEU . 69.0 t -56.01 -50.16 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.83 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.7 t90 -46.12 -38.24 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.817 ' O ' HD11 ' A' ' 101' ' ' LEU . 68.7 mt -113.02 52.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -111.22 -58.97 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -40.05 -52.99 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.66 -28.62 11.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.05 -57.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.405 HG23 HG11 ' A' ' 26' ' ' VAL . 40.8 mt -53.13 -51.21 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.612 HD11 HD21 ' A' ' 101' ' ' LEU . 33.3 mt -55.3 -45.31 76.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.581 ' HB2' HG11 ' A' ' 61' ' ' VAL . 26.0 p -61.9 -35.14 77.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HE2' HG11 ' A' ' 63' ' ' VAL . 22.6 mttm -66.12 -49.12 68.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 21' ' ' GLN . 18.3 tp -51.98 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 51' ' ' ASN . 11.2 p -40.95 -50.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.0 m-80 -51.6 -54.15 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.55 ' O ' ' ND2' ' A' ' 128' ' ' ASN . 1.5 p -43.2 -49.94 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' OE1' ' A' ' 21' ' ' GLN . 76.3 mt -56.55 -66.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 21.7 m-85 -47.0 151.08 1.19 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -169.11 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.77 -34.16 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.46 40.7 3.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.56 -71.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 40.0 84.01 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -54.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.581 HG11 ' HB2' ' A' ' 47' ' ' SER . 49.0 t -94.23 162.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.448 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -112.97 132.54 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.575 HG11 ' HE2' ' A' ' 48' ' ' LYS . 21.3 t -112.79 109.07 53.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 179.78 5.74 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.42 -56.35 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -111.91 152.53 44.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 141.04 26.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.01 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 p -131.15 -45.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.82 160.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.0 -64.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -38.29 -51.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -68.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -41.23 -56.91 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 mtp -53.41 -52.74 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -53.62 30.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -40.15 -58.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.37 -57.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.71 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.441 ' HB3' HG22 ' A' ' 61' ' ' VAL . 44.6 mt-30 -49.44 -48.99 47.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -44.96 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.511 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.3 mt -49.07 -62.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -45.7 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.95 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -46.25 -51.9 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -56.22 21.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -41.8 -43.86 3.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.608 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 2.7 t80 -51.21 -52.42 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.868 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 144.84 42.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.1 t -103.42 137.63 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.42 ' CG1' ' OD2' ' A' ' 94' ' ' ASP . 6.5 pt -69.56 167.77 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -86.09 -1.01 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.61 -9.72 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' ' CG1' ' A' ' 91' ' ' ILE . 37.2 m-20 -102.19 -20.41 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 35.2 mmm -74.79 155.08 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 24.4 p90 -126.63 175.45 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.8 mt-30 -91.2 132.08 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -38.59 -37.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.565 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.8 p -69.2 -51.85 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.499 ' N ' HG13 ' A' ' 99' ' ' VAL . 85.1 m-20 -39.85 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 40' ' ' LEU . 23.1 tp -99.51 -64.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.29 -48.53 6.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.565 ' HB2' HG22 ' A' ' 99' ' ' VAL . 27.8 mm-40 -87.6 -33.76 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.76 18.46 47.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -52.77 -58.65 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -120.62 97.87 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 107' ' ' MET . 1.1 tpp -79.26 -42.02 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.51 -37.33 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -68.57 -52.54 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.622 HG11 HD13 ' A' ' 101' ' ' LEU . 84.3 t -39.43 -33.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -75.06 -52.21 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -40.7 -34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.2 m -67.99 -69.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.02 -47.81 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.468 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -43.56 -40.16 3.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.068 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.1 -46.99 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.5 tp -51.53 -55.94 16.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.561 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -45.72 -69.77 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -45.74 -43.32 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.744 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.868 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.1 mt -55.97 -44.93 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.37 70.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 133' ' ' PRO . 64.2 t -63.33 -38.23 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.9 m -69.61 -64.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.7 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.1 t30 51.38 89.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -130.11 -56.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -173.47 48.96 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 52' ' ' SER . 5.8 m120 -148.81 -49.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.477 ' OH ' ' CA ' ' A' ' 132' ' ' ASP . 1.4 t80 -67.94 122.75 18.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 13.5 mmm180 -128.2 45.35 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.458 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -129.14 -153.46 7.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.477 ' CA ' ' OH ' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -116.66 154.74 49.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.442 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.91 -44.96 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -49.17 -34.86 15.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.737 ' HH2' HG11 ' A' ' 20' ' ' VAL . 36.5 m0 -44.46 -50.92 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 135' ' ' TRP . 44.4 m-85 -149.02 81.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.3 ttt -105.64 106.86 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -111.78 173.32 6.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.77 149.49 50.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -142.95 -178.76 19.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.29 20.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.9 81.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.74 145.58 49.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m 61.67 153.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -173.39 130.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.6 -124.98 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.99 169.75 17.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 0.78 . . . . 0.0 110.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -56.71 164.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.72 -167.55 25.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -80.46 156.18 26.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.1 -57.76 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.929 HD21 ' HG2' ' A' ' 115' ' ' MET . 0.4 OUTLIER -41.53 -70.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.94 -54.34 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.63 -51.27 12.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -58.13 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -40.42 -54.89 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 69.4 t -67.01 -63.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.764 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mt-10 -38.45 -33.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.488 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 24.4 t90 -76.93 -67.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.061 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.788 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.9 mt -41.4 -28.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 17' ' ' TRP . 29.4 t -65.98 -53.84 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.46 -35.9 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.602 ' HB3' HD12 ' A' ' 49' ' ' LEU . 3.1 mm-40 -68.8 -65.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.96 -53.51 54.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 114.06 173.83 18.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 54.41 3.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.99 -45.64 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.3 -27.9 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.44 -150.44 20.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -137.53 157.78 73.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.99 173.48 14.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.64 -162.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 162.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.48 110.12 3.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -177.36 -68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 35' ' ' GLY . 15.9 mt -135.02 -44.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -29.19 -58.05 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -40.08 -57.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -58.67 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.8 -47.27 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.43 ' CZ3' HG22 ' A' ' 15' ' ' VAL . 4.8 t90 -44.67 -39.92 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.8 ' O ' HD11 ' A' ' 101' ' ' LEU . 20.7 mt -112.87 50.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASN . 69.8 tttt -108.02 -66.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.434 ' ND2' ' OE1' ' A' ' 74' ' ' GLN . 1.2 m-80 -39.85 -56.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 112.21 -19.5 22.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.792 HG13 ' CG2' ' A' ' 63' ' ' VAL . 53.8 t -51.83 -51.98 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.84 -56.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.512 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 19.7 mt -47.05 -49.51 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -58.77 -36.79 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG3' HG21 ' A' ' 63' ' ' VAL . 24.5 mttm -66.22 -30.47 70.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 21' ' ' GLN . 18.4 tp -62.99 -72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.692 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.1 p -46.7 -40.82 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -56.94 -58.77 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 49' ' ' LEU . 54.1 p -52.45 -40.09 61.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 50' ' ' VAL . 76.2 mt -55.51 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 14.6 m-85 -36.07 151.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.44 39.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -47.99 155.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.62 -45.62 3.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' LYS . 18.6 t -57.92 -68.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 40.03 85.18 0.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -53.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.4 t -90.78 155.63 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -120.39 98.33 6.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.792 ' CG2' HG13 ' A' ' 44' ' ' VAL . 6.7 p -99.48 113.85 65.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.59 23.32 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.9 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -76.94 132.22 71.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 138.58 23.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.97 -174.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.69 -152.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 74' ' ' GLN . 9.8 mtt 54.83 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.494 HG13 ' HE2' ' A' ' 102' ' ' TYR . 95.0 t -82.35 -65.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -42.16 -45.5 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -68.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' MET . 11.3 mm-40 -42.29 -54.95 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.457 ' SD ' HG22 ' A' ' 98' ' ' THR . 24.9 mmm -46.61 -49.05 19.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.52 -50.51 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -40.8 -60.93 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.495 HG22 ' CA ' ' A' ' 43' ' ' GLY . 98.3 t -61.14 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.46 -46.58 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -53.03 -45.56 68.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 3.7 t80 -70.68 -44.58 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.5 mt -49.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -44.54 -40.77 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.87 -42.63 99.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -49.71 -52.65 29.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -48.68 61.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -48.23 -42.4 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 2.6 t80 -54.17 -48.68 70.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.846 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 140.3 44.48 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 91' ' ' ILE . 40.5 t -104.1 129.42 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.481 HD11 ' OD1' ' A' ' 94' ' ' ASP . 9.3 pt -53.39 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 17.3 tttt -103.49 -16.22 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.6 p -89.98 -1.88 58.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.648 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 1.2 m-20 -104.52 -23.32 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 44.2 mmm -74.95 137.77 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 51.8 p90 -111.08 -179.13 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' THR . 1.7 mt-30 -96.1 135.63 37.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.457 HG22 ' SD ' ' A' ' 75' ' ' MET . 42.2 m -37.68 -48.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.5 p -56.91 -52.82 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.521 ' N ' HG13 ' A' ' 99' ' ' VAL . 18.2 m-20 -39.14 -31.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.8 HD11 ' O ' ' A' ' 40' ' ' LEU . 18.9 tp -99.36 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.494 ' HE2' HG13 ' A' ' 71' ' ' VAL . 3.8 t80 -45.57 -58.17 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 99' ' ' VAL . 46.4 mm-40 -93.75 17.78 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 36.27 41.14 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.42 -33.3 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 100.45 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.38 -39.17 21.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.81 -32.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -82.22 -49.83 9.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.575 HG11 HD13 ' A' ' 101' ' ' LEU . 75.4 t -41.78 -29.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 109' ' ' ALA . 91.2 mt-30 -78.1 -51.65 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -32.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -70.23 -55.9 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.548 HD13 ' HG ' ' A' ' 14' ' ' LEU . 17.4 mt -58.84 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.929 ' HG2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -43.45 -27.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.648 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -93.58 -43.27 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' A' ' 117' ' ' LEU . 12.2 tp -55.14 -58.52 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 136' ' ' PHE . . . -51.8 -63.46 4.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -47.85 -38.18 15.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.846 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.8 mt -59.21 -43.3 92.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 133' ' ' PRO . 46.1 t -65.86 -46.93 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' LYS . 18.4 m -56.4 -57.58 11.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' THR . 42.5 mttt -40.2 -57.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 46.8 t30 40.38 68.53 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.36 -46.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.33 67.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.29 -66.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 131' ' ' GLY . 0.0 OUTLIER -84.34 -171.38 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 131' ' ' GLY . 19.4 mmt180 -120.53 -52.64 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.621 ' CA ' HG21 ' A' ' 20' ' ' VAL . . . -36.64 135.86 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.559 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 33.8 m-20 -51.09 150.9 5.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.466 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.05 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.41 54.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.7 ' HH2' HG11 ' A' ' 20' ' ' VAL . 10.9 m0 -117.1 -68.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.029 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.509 ' CZ ' ' HA3' ' A' ' 118' ' ' GLY . 63.7 m-85 -68.41 -37.01 79.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.9 mtm -64.96 162.18 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.65 93.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 9.3 p -138.25 -59.82 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 166.27 -177.01 41.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.812 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.47 147.48 45.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.66 151.79 21.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m 59.14 155.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.04 125.07 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.86 63.7 0.85 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -171.94 144.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 0.0 109.952 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -55.84 98.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.44 114.65 1.91 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -73.61 145.54 45.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.35 -57.97 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -46.29 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.62 -56.74 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -54.42 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 10' ' ' LEU . 66.1 mt -41.85 -57.07 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 19' ' ' VAL . 88.2 t -59.21 -51.1 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.8 mm-40 -51.66 -25.56 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.552 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.3 t90 -82.36 -57.91 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -49.16 -23.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 15' ' ' VAL . 34.8 t -72.29 -54.31 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.3 m -65.95 -39.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.552 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -59.99 -71.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 m -63.49 -54.23 39.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.96 174.76 16.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.428 1.08 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 54.62 3.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.54 -44.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.32 -29.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.63 -151.2 20.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -132.17 160.48 67.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.04 165.91 30.27 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -77.8 -161.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' CD ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -48.88 178.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.39 100.19 2.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HB2' ' CD ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER 178.22 -68.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.332 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' GLY . 10.5 mt -120.29 -39.86 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.52 -70.48 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -39.08 -54.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.749 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -50.69 -49.31 57.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.56 -49.04 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.466 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 13.6 t90 -49.45 -30.17 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 107.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.821 ' O ' HD21 ' A' ' 101' ' ' LEU . 28.9 mt -114.55 37.12 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -104.55 -53.07 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.643 ' OD1' HG23 ' A' ' 44' ' ' VAL . 27.5 t-20 -45.43 -54.07 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.86 -25.52 26.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.643 HG23 ' OD1' ' A' ' 42' ' ' ASN . 4.7 t -49.74 -50.31 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.62 -47.41 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 81' ' ' PHE . 18.1 mt -53.17 -46.43 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.4 m -61.21 -40.29 93.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -63.93 -38.85 92.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 21' ' ' GLN . 14.0 tp -57.45 -73.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 51' ' ' ASN . 9.8 p -42.97 -47.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.425 ' N ' HG13 ' A' ' 50' ' ' VAL . 9.2 m-80 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 p -43.86 -45.87 7.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD13 ' OH ' ' A' ' 88' ' ' TYR . 93.1 mt -59.09 -85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 44.3 m-85 -36.27 153.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.44 -59.26 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.27 52.82 3.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -175.79 37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.31 114.15 42.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -61.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 81' ' ' PHE . 61.2 t -88.63 161.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 61' ' ' VAL . 2.0 mppt? -126.2 101.47 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 63' ' ' VAL . 2.4 p -89.23 114.73 61.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.28 -49.87 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -81.93 125.99 76.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 139.4 24.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -75.0 -165.66 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.58 -65.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -38.58 122.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.719 HG13 ' H ' ' A' ' 72' ' ' PHE . 1.2 p -42.23 -69.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.719 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m-30 -47.3 -23.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.1 mmtt -85.58 -57.26 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' MET . 30.2 mt-30 -56.53 -45.36 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.517 ' CE ' ' CG ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -43.95 -43.31 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 110.977 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.59 -45.9 81.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -53.53 -57.59 10.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.5 t -58.21 -48.92 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.46 -51.44 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -50.22 -43.22 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' HA ' HG21 ' A' ' 61' ' ' VAL . 1.7 t80 -72.78 -43.51 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.916 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 41.0 mt -52.29 -63.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.05 70.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.95 92.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.2 -34.04 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -59.12 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.47 -45.51 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 4.7 t80 -45.33 -39.68 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.46 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 147.53 -18.1 1.48 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.708 HG13 ' OD2' ' A' ' 94' ' ' ASP . 72.1 t -44.46 144.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.612 HD12 ' OG1' ' A' ' 93' ' ' THR . 34.9 pt -87.07 -169.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.11 1.5 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.612 ' OG1' HD12 ' A' ' 91' ' ' ILE . 1.5 p -105.27 -3.11 23.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.708 ' OD2' HG13 ' A' ' 90' ' ' VAL . 12.9 p30 -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 29.2 mmm -71.0 153.68 42.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.916 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 7.2 p90 -120.02 177.93 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.6 mt-30 -100.26 137.34 38.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.9 m -43.37 -33.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 1.2 m -72.27 -44.06 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 83.8 m-20 -49.52 -23.59 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 40' ' ' LEU . 14.2 tp -105.73 -60.02 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 71' ' ' VAL . 30.7 t80 -55.01 -58.05 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.06 -1.54 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 51.28 41.53 47.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -70.96 -39.12 72.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 110' ' ' VAL . 37.5 t0 -141.79 119.47 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -94.27 -38.78 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.92 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -60.19 -56.38 22.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 106' ' ' ASP . 68.0 t -40.42 -37.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -72.12 -50.11 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.41 ' CD ' ' HA ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.41 -30.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' ALA . 96.2 m -69.67 -69.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.17 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -35.48 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' THR . . . -76.91 -55.06 5.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 88' ' ' TYR . 16.9 tp -45.72 -64.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -46.24 -60.12 4.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -52.29 -42.89 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.4 mt -62.03 -40.43 95.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.411 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -73.13 -30.32 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 118' ' ' GLY . 40.4 t -68.78 -47.75 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -49.39 -50.92 38.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -63.29 -69.61 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.9 t30 47.9 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.78 -52.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 177.19 55.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.31 -58.39 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -52.06 113.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -42.94 75.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.574 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -75.34 -152.06 3.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.463 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 4.3 m-20 -103.2 149.26 36.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.65 12.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -88.26 44.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.581 ' HH2' HG11 ' A' ' 20' ' ' VAL . 14.6 m0 -107.98 -62.18 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.055 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 27.5 m-85 -75.46 -59.57 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.88 127.78 1.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -161.37 46.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.4 t -142.1 136.18 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.99 153.67 53.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 64.67 6.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.2 p -114.77 142.92 45.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.54 -45.12 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 p -148.82 -55.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 0.787 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -71.5 172.37 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.88 135.77 0.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.103 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.44 133.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.75 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -55.68 -178.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.35 -106.63 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 61.1 -175.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -20.78 63.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -55.1 -47.77 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 1.9 tt0 -44.74 -51.4 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -40.12 -44.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -51.51 63.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.606 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 47.4 mt -43.22 -56.56 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 19' ' ' VAL . 43.8 t -58.65 -48.91 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.0 mm-40 -47.79 -25.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.471 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.0 t90 -85.05 -61.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 mt -48.46 -23.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 15' ' ' VAL . 41.4 t -69.1 -54.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.89 -38.2 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -62.62 -70.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -64.85 -53.41 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.246 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.99 179.36 17.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.03 3.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -125.63 -44.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 m -70.72 -32.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 -143.8 16.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.583 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -139.57 141.27 27.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -74.98 157.38 42.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -72.53 173.58 8.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -39.38 155.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.43 112.13 4.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -174.83 -54.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -148.97 -46.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -33.96 -66.79 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -38.07 -55.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -59.48 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.1 t -58.11 -45.84 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.612 ' CH2' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -47.24 -37.18 10.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.789 ' O ' HD11 ' A' ' 101' ' ' LEU . 30.4 mt -114.17 44.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 61.9 tttt -109.17 -54.19 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 5.2 m-20 -44.56 -48.51 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.93 -31.55 8.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -49.16 -49.16 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.48 -52.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.99 -52.44 65.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.436 ' OG ' HG11 ' A' ' 61' ' ' VAL . 71.0 m -55.34 -39.53 70.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HE2' HG11 ' A' ' 63' ' ' VAL . 26.2 mttm -60.93 -40.04 91.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' SER . 14.5 tp -58.39 -73.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.0 p -39.86 -48.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' HG13 ' A' ' 50' ' ' VAL . 15.1 m-80 -57.84 -47.99 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 p -48.14 -47.0 35.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' TYR . 86.7 mt -57.08 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 52.0 m-85 -36.54 155.07 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.0 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.78 -58.77 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.42 53.15 3.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -176.36 41.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -80.38 113.96 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.98 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.436 HG11 ' OG ' ' A' ' 47' ' ' SER . 60.3 t -87.33 160.72 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.7 ttpt -113.76 130.67 56.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.608 HG11 ' HE2' ' A' ' 48' ' ' LYS . 11.8 t -110.44 110.28 57.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -75.06 0.67 8.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 64' ' ' PRO . 5.3 tt0 83.63 -56.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -89.77 132.39 36.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 144.92 30.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.05 -172.1 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 t -128.56 -46.47 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -51.54 169.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.507 HG13 ' OH ' ' A' ' 102' ' ' TYR . 70.6 t -85.87 -58.05 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -41.97 -44.45 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -62.7 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' HA ' ' A' ' 42' ' ' ASN . 28.3 mm-40 -40.03 -58.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -47.78 56.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.44 -49.31 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.39 -63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.92 -48.98 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.19 55.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -53.37 -44.13 68.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -73.38 -43.13 61.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.732 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 45.1 mt -51.56 -59.71 3.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -54.83 -39.52 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.17 -37.28 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.64 -46.28 83.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.87 -40.45 56.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.471 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 2.7 t80 -53.41 -54.35 38.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.834 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 146.92 43.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 120' ' ' LEU . 69.1 t -106.12 137.48 36.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.633 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.4 pt -73.14 167.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 2.98 43.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.633 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -99.63 -15.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.606 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.6 OUTLIER -100.71 -18.11 16.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 52.6 mmm -78.92 150.05 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.732 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 34.4 p90 -117.58 -172.38 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.042 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.7 mt-30 -103.45 134.47 46.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.5 m -38.14 -37.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 103' ' ' GLU . 8.4 p -65.81 -52.33 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.511 ' N ' HG13 ' A' ' 99' ' ' VAL . 62.3 m-20 -40.46 -29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.789 HD11 ' O ' ' A' ' 40' ' ' LEU . 13.1 tp -99.77 -63.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.507 ' OH ' HG13 ' A' ' 71' ' ' VAL . 35.7 t80 -43.9 -50.64 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 99' ' ' VAL . 54.1 mm-40 -90.1 -18.0 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.32 25.13 76.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.9 -56.44 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 110' ' ' VAL . 5.6 m-20 -121.02 107.16 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -47.05 13.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.96 -31.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.11 -53.86 8.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 92.4 t -42.98 -37.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.413 ' OE1' HD12 ' A' ' 14' ' ' LEU . 15.1 mt-30 -78.95 -46.78 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -28.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -74.97 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.95 -49.57 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.507 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.84 -33.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.606 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -86.99 -50.79 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.0 tp -45.7 -60.69 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -49.58 -67.66 1.69 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.59 -40.63 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.834 HD11 ' O ' ' A' ' 89' ' ' GLY . 4.3 mt -59.79 -46.39 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -68.12 -29.66 68.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 133' ' ' PRO . 64.1 t -68.72 -42.7 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m -60.19 -35.68 75.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -77.62 -79.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.5 t30 58.78 100.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -166.66 44.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 86.51 60.35 1.73 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -148.52 -55.12 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.402 ' OH ' ' CD1' ' A' ' 136' ' ' PHE . 1.0 OUTLIER -70.53 97.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -22.15 43.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.573 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -94.68 -153.97 30.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.27 149.66 38.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.462 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.97 -22.49 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -86.07 48.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.589 ' HH2' HG11 ' A' ' 20' ' ' VAL . 24.1 m0 -115.39 -59.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.606 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 30.0 m-85 -81.37 -4.5 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.73 141.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -174.05 -166.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.03 105.11 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.017 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -136.44 177.87 19.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.36 25.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.53 118.87 13.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.9 p -90.43 116.41 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.93 131.96 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.98 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m 60.22 162.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.19 -92.8 1.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.26 178.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -136.66 168.44 19.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.942 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.04 -174.21 34.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -97.6 152.56 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -53.44 -57.79 9.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.65 -64.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.35 -53.59 1.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.1 -59.49 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.36 -51.96 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 mt -41.47 -55.98 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.684 HG13 ' CH2' ' A' ' 39' ' ' TRP . 89.9 t -59.44 -53.24 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.671 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.7 mt-10 -45.54 -26.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.499 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 23.6 t90 -83.02 -56.87 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.5 mt -49.41 -24.4 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' GLY . 27.0 t -71.37 -54.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -67.91 -38.33 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.6 ' HB3' HD12 ' A' ' 49' ' ' LEU . 9.1 mm-40 -62.99 -69.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -65.29 -54.39 29.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 108.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.22 176.07 18.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.07 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.33 -46.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.42 -30.23 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.53 -142.29 16.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.455 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -135.78 170.39 11.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.0 152.12 40.38 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -54.61 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.7 mtt85 -44.33 166.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.05 137.74 13.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 62.38 159.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.1 mp 40.61 50.57 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.08 -46.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -43.13 77.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.95 -37.45 74.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.4 t -81.81 -30.19 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.684 ' CH2' HG13 ' A' ' 15' ' ' VAL . 5.9 t90 -62.45 -37.89 87.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.833 ' O ' HD11 ' A' ' 101' ' ' LEU . 30.0 mt -108.4 33.39 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -95.38 -57.98 2.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -42.34 -50.04 5.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.13 -26.75 23.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 67' ' ' PRO . 53.3 t -48.79 -46.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 mt -63.94 -42.52 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD22 ' CE2' ' A' ' 81' ' ' PHE . 27.0 mt -60.84 -45.21 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.642 ' HB2' HG11 ' A' ' 61' ' ' VAL . 43.7 p -65.18 -39.22 92.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HE2' HG11 ' A' ' 63' ' ' VAL . 17.2 mttm -64.25 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 21' ' ' GLN . 35.1 tp -54.22 -73.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -45.62 -37.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -56.54 20.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -46.17 16.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.6 mt -53.72 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 17.1 m-85 -35.59 150.44 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 158.73 42.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.35 152.82 6.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.83 -44.67 3.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -55.71 -75.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 42.85 90.69 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.5 Cg_endo -74.96 -46.76 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.642 HG11 ' HB2' ' A' ' 47' ' ' SER . 48.5 t -87.65 164.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -118.07 115.87 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.594 HG11 ' HE2' ' A' ' 48' ' ' LYS . 6.5 t -99.38 109.14 53.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 154.1 42.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.42 -62.09 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -100.85 139.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.901 ' HB3' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.03 148.39 35.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.94 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -155.67 -51.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.508 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 3.0 mtt -45.88 137.52 5.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.735 HG13 ' H ' ' A' ' 72' ' ' PHE . 1.3 p -45.6 -69.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.735 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.1 m-85 -51.89 -20.48 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 5.1 mmtp -82.7 -68.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' MET . 14.7 mm-40 -53.56 -44.08 68.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.425 ' HE1' HG12 ' A' ' 99' ' ' VAL . 15.1 mtp -48.94 -43.88 40.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -46.12 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -46.54 -47.04 19.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG12 ' HG ' ' A' ' 82' ' ' LEU . 60.3 t -72.77 -43.84 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.97 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' VAL . 67.7 mt-30 -54.4 -44.36 72.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CE2' HD22 ' A' ' 46' ' ' LEU . 7.9 t80 -72.98 -42.07 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.778 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 42.1 mt -53.2 -56.14 18.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -59.57 -40.29 86.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.91 99.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.39 80.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -58.92 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -44.75 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -44.95 -38.79 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.68 -17.12 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.498 HG13 ' OD2' ' A' ' 94' ' ' ASP . 99.4 t -46.98 153.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.796 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.623 HD12 ' OG1' ' A' ' 93' ' ' THR . 18.5 pt -99.31 -171.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.8 7.42 39.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.623 ' OG1' HD12 ' A' ' 91' ' ' ILE . 2.2 p -108.1 -9.08 15.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.498 ' OD2' HG13 ' A' ' 90' ' ' VAL . 9.0 p30 -112.25 -10.5 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 59.5 mmm -82.42 162.63 22.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.778 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.6 p90 -127.03 -177.51 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.7 mt-30 -103.21 134.2 47.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -41.89 -35.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.7 m -68.12 -47.41 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.445 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 69.0 m-20 -48.86 -25.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.833 HD11 ' O ' ' A' ' 40' ' ' LEU . 12.2 tp -101.18 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.599 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 5.0 t80 -51.52 -56.05 15.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.64 -5.55 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.46 44.53 85.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -68.96 -72.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.5 OUTLIER -115.51 111.92 21.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.0 mmm -83.26 -28.43 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.83 -42.75 80.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -70.81 -52.68 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.58 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 53.8 t -41.83 -30.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 109' ' ' ALA . 72.6 mt-30 -81.45 -51.5 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.65 -31.77 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.5 m -68.22 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.8 mt -42.66 -50.05 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -41.47 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.35 -59.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.9 tp -40.16 -55.99 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.65 -67.16 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -48.01 -41.52 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 0.799 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 90' ' ' VAL . 2.3 mt -58.44 -32.24 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.35 -30.66 30.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.07 -50.37 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.6 m -48.12 -47.02 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -61.33 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.63 94.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.235 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -149.0 -50.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.79 52.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -127.01 -50.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 0.741 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -72.49 108.14 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 5.9 mmm180 -65.05 -43.84 91.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.557 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -66.85 -163.68 1.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.522 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 13.6 m-20 -84.2 152.56 61.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -32.36 5.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -83.21 51.87 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.661 ' HH2' HG11 ' A' ' 20' ' ' VAL . 15.5 m0 -114.69 -40.48 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 135' ' ' TRP . 13.7 m-85 -138.92 77.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.82 118.87 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -173.34 170.17 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.52 118.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -117.82 -145.45 7.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.28 2.62 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.5 m 46.91 94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.998 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.43 86.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -138.1 100.94 4.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -172.28 104.9 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.16 165.46 14.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' CZ ' ' A' ' 31' ' ' ARG . 3.6 m -163.27 -57.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -99.16 169.42 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.65 118.34 0.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -80.01 144.49 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.83 -56.69 18.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.61 -66.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -38.66 -56.8 1.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.0 -48.55 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -67.21 -57.64 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' ARG . 61.1 mt -40.06 -56.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.9 t -58.07 -50.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.643 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mm-40 -49.46 -25.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.55 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 20.7 t90 -86.59 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.98 -24.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 15' ' ' VAL . 43.1 t -69.72 -54.07 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.74 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -67.52 -38.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.624 ' OE1' HD21 ' A' ' 53' ' ' LEU . 5.4 mm-40 -59.03 -70.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -66.73 -53.04 37.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.71 179.6 16.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.47 3.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.13 -44.84 2.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.0 m -69.68 -33.09 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 -144.92 17.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -140.72 141.55 25.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -74.98 163.12 36.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ARG . 2.6 m-20 -78.77 176.87 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 5' ' ' SER . 4.1 mtt180 -38.9 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.5 113.92 5.12 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.14 -63.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.0 mt -138.11 -46.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.75 -67.55 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 37.4 t80 -39.56 -52.52 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.431 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.6 t -55.85 -44.9 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CH2' HG13 ' A' ' 15' ' ' VAL . 6.4 t90 -44.57 -42.07 7.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.82 ' O ' HD11 ' A' ' 101' ' ' LEU . 29.6 mt -111.37 47.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 18.9 tttt -110.35 -56.31 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -43.42 -51.09 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.23 -27.59 17.85 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.585 HG13 HG23 ' A' ' 63' ' ' VAL . 55.3 t -50.44 -40.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -68.94 -56.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 81' ' ' PHE . 33.1 mt -50.58 -44.7 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.51 ' OG ' HG11 ' A' ' 61' ' ' VAL . 46.0 m -63.4 -35.39 80.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HG3' HG21 ' A' ' 63' ' ' VAL . 14.1 mttm -67.73 -41.43 83.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 21' ' ' GLN . 24.8 tp -55.35 -73.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 54' ' ' TYR . 8.7 p -41.55 -48.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 50' ' ' VAL . 1.7 m-80 -48.39 -60.45 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.92 -52.55 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.624 HD21 ' OE1' ' A' ' 21' ' ' GLN . 43.8 mt -53.02 -79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 29.9 m-85 -36.53 152.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.65 -34.24 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 41.25 3.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.56 -72.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.41 88.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.94 -59.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.589 HG13 ' HB3' ' A' ' 80' ' ' GLN . 49.1 t -86.97 165.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.495 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -127.05 102.45 6.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.585 HG23 HG13 ' A' ' 44' ' ' VAL . 2.1 p -100.5 115.74 65.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -101.82 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.94 36.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.4 Cg_endo -75.01 -57.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER 84.73 -48.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 126.61 28.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.631 HG22 ' OH ' ' A' ' 102' ' ' TYR . 51.0 t -41.87 -67.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -43.07 -47.96 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -61.83 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -43.23 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.61 -43.87 36.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' GLN . 34.3 mt-10 -63.61 -52.6 60.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' GLU . 2.1 tp60 -39.01 -48.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.99 -52.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -41.63 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.589 ' HB3' HG13 ' A' ' 61' ' ' VAL . 75.4 mt-30 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.615 ' CE2' HD22 ' A' ' 46' ' ' LEU . 4.7 t80 -68.6 -43.43 76.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 36.5 mt -51.03 -71.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -44.66 -40.46 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.93 -42.82 99.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.635 ' HB3' ' HE1' ' A' ' 95' ' ' MET . . . -53.85 -38.94 65.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -47.66 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -48.71 -44.48 38.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.5 -55.21 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.847 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 150.57 42.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.546 HG22 HD12 ' A' ' 120' ' ' LEU . 79.4 t -106.13 136.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.56 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.4 pt -70.51 169.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -86.53 2.67 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.56 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -101.74 -11.57 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -100.76 -21.41 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.635 ' HE1' ' HB3' ' A' ' 85' ' ' ALA . 40.2 mmm -77.15 137.54 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 7.9 p90 -105.67 178.81 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.6 mt-30 -93.58 135.92 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.2 m -37.07 -48.2 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.4 p -55.84 -52.49 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.523 ' N ' HG13 ' A' ' 99' ' ' VAL . 54.0 m-20 -39.55 -30.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.82 HD11 ' O ' ' A' ' 40' ' ' LEU . 16.4 tp -101.01 -64.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.631 ' OH ' HG22 ' A' ' 71' ' ' VAL . 20.7 t80 -42.92 -51.63 5.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HB2' HG22 ' A' ' 99' ' ' VAL . 5.6 mm-40 -104.77 23.89 12.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.06 31.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -51.43 -37.02 46.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.879 ' O ' HG23 ' A' ' 110' ' ' VAL . 52.9 m-20 -147.33 109.37 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.42 -32.43 29.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.12 75.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -63.16 -51.28 67.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 106' ' ' ASP . 87.3 t -39.25 -30.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 109' ' ' ALA . 65.5 mt-30 -84.1 -53.47 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.85 -34.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -68.32 -69.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.52 -47.78 38.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -39.07 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -78.27 -56.28 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.3 tp -42.37 -57.38 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.21 -66.06 2.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -38.89 17.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.8 mt -59.82 -43.07 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.594 ' HB3' ' HD2' ' A' ' 129' ' ' TYR . . . -72.54 -28.96 63.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 136' ' ' PHE . 86.2 t -74.03 -48.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 88.6 m -39.89 -52.82 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -41.02 -89.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 127' ' ' GLY . 17.6 m-20 176.79 59.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' ASN . 0.2 OUTLIER 39.83 30.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 125' ' ' ASN . . . -74.51 -68.71 1.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -78.32 -36.12 46.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.594 ' HD2' ' HB3' ' A' ' 121' ' ' ALA . 3.5 t80 -66.79 104.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -63.98 -42.12 97.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.558 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -61.89 -171.97 1.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.68 151.01 54.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -33.17 4.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -31.21 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.74 ' HH2' HG11 ' A' ' 20' ' ' VAL . 32.9 m0 -46.76 -44.47 19.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.511 ' CD1' ' OH ' ' A' ' 129' ' ' TYR . 35.6 m-85 -138.6 77.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 4.6 ptp -73.72 148.0 43.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.01 137.56 10.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.8 t -161.68 84.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 171.31 -160.5 32.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.91 5.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.21 126.12 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.4 t -143.22 127.56 17.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -144.42 -58.76 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -109.62 73.38 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.21 -163.26 10.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -138.82 94.4 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.52 -57.59 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.34 -69.41 2.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 60.99 146.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 1.5 mp0 -68.41 -47.91 66.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.727 HD21 ' CG ' ' A' ' 115' ' ' MET . 0.5 OUTLIER -43.43 -52.64 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.54 -49.36 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' GLU . 2.9 mm-40 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -54.95 -45.97 74.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 18' ' ' ILE . 3.3 mp -51.03 -62.07 1.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG11 ' HD2' ' A' ' 29' ' ' PRO . 46.4 t -62.83 -62.25 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.709 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.9 mt-10 -40.17 -34.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' NE1' ' CZ ' ' A' ' 129' ' ' TYR . 19.5 t90 -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 107.99 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.2 mt -50.83 -22.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 15' ' ' VAL . 40.8 t -70.13 -51.99 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -69.36 -38.93 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG3' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -61.69 -69.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -65.92 -49.23 68.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 112.52 -178.2 18.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.58 3.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.92 -47.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 26' ' ' VAL . 4.5 m -67.34 -33.45 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.44 -138.62 14.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -144.82 141.97 18.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 0.734 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.601 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.99 129.43 12.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -48.29 160.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 167.85 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.4 -133.42 11.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.79 -47.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.74 -55.56 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -37.47 -64.54 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 45.2 t80 -41.56 -52.74 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.21 -61.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 96.4 t -57.38 -47.37 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 8.5 t90 -49.05 -37.44 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' HD21 ' A' ' 101' ' ' LEU . 56.6 mt -112.53 41.26 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 14.7 tttm -105.24 -55.47 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.87 -46.77 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.8 9.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.553 HG13 HG13 ' A' ' 63' ' ' VAL . 54.6 t -50.04 -54.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mt -49.84 -50.89 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD11 HD21 ' A' ' 101' ' ' LEU . 50.7 mt -57.41 -49.16 77.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.501 ' HB3' HG11 ' A' ' 61' ' ' VAL . 63.3 m -57.42 -37.35 72.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.777 ' HE2' HG11 ' A' ' 63' ' ' VAL . 31.1 mttm -68.25 -36.66 79.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.51 -74.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.54 -44.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 3.0 m-80 -51.15 -59.67 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.7 OUTLIER -39.09 -51.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' TYR . 31.0 mt -54.13 -79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 25.7 m-85 -35.97 149.61 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -172.22 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -78.55 -33.98 47.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.94 41.58 3.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.088 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.66 -73.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 41.23 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.95 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -86.14 166.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -127.97 102.07 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.777 HG11 ' HE2' ' A' ' 48' ' ' LYS . 62.6 t -83.73 117.25 68.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -45.68 -64.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -118.15 164.8 18.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.04 150.22 37.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.98 -176.96 3.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.69 -48.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mtt -49.97 153.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.76 -60.18 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -47.95 -37.11 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.7 -68.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -45.62 -49.53 14.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.18 -52.61 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.38 -44.91 89.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -44.09 -42.23 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.75 -53.39 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.29 6.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -72.06 -43.26 65.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.817 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 38.2 mt -53.39 -58.2 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -52.54 -44.23 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' CE ' ' A' ' 95' ' ' MET . . . -52.62 -47.2 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -50.38 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -40.53 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.17 -55.39 21.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.836 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 150.18 43.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.632 HG22 HD12 ' A' ' 120' ' ' LEU . 92.7 t -108.46 129.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.469 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.9 pt -61.75 174.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -12.34 47.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.469 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -89.62 -12.86 38.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -98.42 -21.12 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 35.4 mmm -81.14 147.49 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.817 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 11.9 p90 -108.75 -176.91 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mt-30 -96.17 139.4 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 m -47.01 -23.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -87.49 -37.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' GLN . 80.1 m-20 -50.04 -23.02 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.813 HD21 ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -106.75 -63.43 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 28.5 t80 -49.99 -52.57 32.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' LYS . 14.1 mm-40 -90.66 12.6 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.56 30.59 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' GLU . 12.0 mttt -57.12 -45.39 83.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -141.49 107.87 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 38.0 mmm -82.58 -36.71 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.63 11.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -76.71 -53.2 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.552 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 95.2 t -41.28 -30.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 109' ' ' ALA . 89.0 mt-30 -81.26 -51.79 8.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -33.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.2 m -68.59 -64.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.613 HD13 ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt -46.96 -50.77 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.727 ' CG ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.48 -37.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.71 -57.28 3.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.9 tp -43.46 -49.57 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.58 -69.67 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.0 -36.0 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.836 HD11 ' O ' ' A' ' 89' ' ' GLY . 6.0 mt -66.0 -51.63 56.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.74 -17.25 55.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.6 t -83.04 -45.87 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.5 m -76.98 -40.58 46.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.8 -100.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 127' ' ' GLY . 5.6 p30 -130.63 70.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 129' ' ' TYR . 7.9 p-10 -39.33 -30.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 125' ' ' ASN . . . -46.96 -34.69 7.53 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -78.02 -31.93 50.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 0.719 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.544 ' CZ ' ' NE1' ' A' ' 17' ' ' TRP . 3.2 t80 -61.07 116.49 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -58.45 -57.75 11.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.558 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -62.62 -165.7 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.421 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 2.0 m-20 -90.81 151.79 43.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.13 8.51 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -84.31 50.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.624 ' HH2' HG11 ' A' ' 20' ' ' VAL . 14.9 m0 -112.96 -58.41 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.982 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -89.78 -37.46 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 153.06 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -139.88 155.33 47.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 61.8 p -113.49 122.32 46.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -173.92 -178.65 44.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 76.59 3.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.8 t -133.07 158.21 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.6 m -145.47 131.86 19.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.522 HD11 ' HE3' ' A' ' 115' ' ' MET . 0.4 OUTLIER -40.34 -62.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.22 -56.44 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.4 -56.1 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -60.45 -52.15 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 mt -40.66 -54.51 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.699 HG13 ' CH2' ' A' ' 39' ' ' TRP . 74.9 t -60.84 -50.62 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.675 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.6 mt-10 -46.67 -25.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.457 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.3 t90 -84.36 -56.33 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mt -52.7 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 15' ' ' VAL . 37.2 t -73.36 -53.68 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.749 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -66.04 -38.88 83.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -63.68 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.01 -54.14 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 113.82 177.13 19.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.07 3.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.86 -45.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.16 -27.11 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.01 -151.54 26.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -136.84 174.14 4.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.74 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' TRP . 40.8 t80 -73.98 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -46.29 -42.14 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.245 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.1 t -69.5 -34.98 64.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.699 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.6 t90 -59.51 -43.69 93.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.797 ' O ' HD21 ' A' ' 101' ' ' LEU . 48.1 mt -103.77 42.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 13.0 tttt -104.38 -60.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.743 ' OD1' HG23 ' A' ' 44' ' ' VAL . 22.2 t-20 -42.06 -55.78 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.51 -32.46 6.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.743 HG23 ' OD1' ' A' ' 42' ' ' ASN . 36.9 t -43.92 -48.37 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.25 -41.92 94.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 81' ' ' PHE . 26.3 mt -62.33 -51.81 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.47 ' HB3' HG11 ' A' ' 61' ' ' VAL . 46.3 m -58.19 -33.23 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HE2' HG11 ' A' ' 63' ' ' VAL . 22.2 mttm -68.26 -38.71 82.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.56 -70.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 51' ' ' ASN . 9.2 p -41.24 -49.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.453 ' N ' HG13 ' A' ' 50' ' ' VAL . 6.4 m-80 -56.37 -51.99 66.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 p -40.62 -38.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' TYR . 9.6 mt -75.16 -72.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 13.2 m-85 -35.13 150.76 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.6 5.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -32.06 53.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.23 38.08 3.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -145.5 -72.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.07 90.44 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.99 -51.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.813 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 62' ' ' LYS . 48.4 t -90.47 168.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.541 ' N ' HG12 ' A' ' 61' ' ' VAL . 25.9 mttt -127.97 107.68 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.498 HG11 ' HE2' ' A' ' 48' ' ' LYS . 76.5 t -97.33 118.44 64.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 177.32 8.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.98 -58.5 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -101.61 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.96 145.22 31.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.99 -174.08 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.11 -46.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mtt -43.28 158.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -72.39 -64.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -40.0 -42.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -67.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.58 -51.49 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -47.91 71.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.21 -49.38 72.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -41.72 -43.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' PHE . 97.1 t -68.94 -54.01 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.0 -45.55 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -52.63 -41.6 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.7 t80 -76.95 -44.47 31.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 mt -51.95 -57.52 9.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -57.63 -41.05 80.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.77 96.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.48 -56.88 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -43.96 -52.17 7.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.35 -54.46 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.45 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.9 t80 -40.32 -40.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.82 -17.63 1.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.486 HG13 ' OD2' ' A' ' 94' ' ' ASP . 96.5 t -43.52 151.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.556 HD12 ' HB ' ' A' ' 93' ' ' THR . 25.7 pt -96.95 -170.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -102.69 2.03 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.556 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.73 -6.57 23.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' HG13 ' A' ' 90' ' ' VAL . 7.2 p30 -115.92 -7.96 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 68.8 mmm -88.49 140.18 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 16.0 p90 -107.09 -176.14 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mm-40 -101.03 137.54 39.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' GLN . 86.6 m -37.82 -41.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.9 p -65.15 -52.37 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 99' ' ' VAL . 88.0 m-20 -39.68 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.797 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -99.26 -61.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 11.6 t80 -45.8 -56.48 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 26.2 mt-10 -100.18 23.91 9.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.61 29.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -47.77 -36.8 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.1 m-20 -152.07 112.86 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 40.0 mmm -86.21 -32.28 21.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.06 -30.72 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -79.22 -51.18 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.542 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 74.0 t -40.04 -30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 70.3 mt-30 -80.8 -53.99 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -36.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.4 m -66.37 -68.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.454 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.48 -46.53 57.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.522 ' HE3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.16 -34.59 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.87 -53.63 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -44.93 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -40.69 -64.64 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -46.07 -48.33 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.34 -43.23 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.57 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 118' ' ' GLY . 79.3 t -62.66 -33.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.416 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 1.7 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.1 15.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -88.58 45.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.749 ' HH2' HG11 ' A' ' 20' ' ' VAL . 18.4 m0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.011 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.447 HD22 ' HE3' ' A' ' 115' ' ' MET . 0.1 OUTLIER -57.88 -46.18 85.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.41 -50.77 66.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -45.22 -47.37 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' LEU . 3.8 mtt180 -58.78 -52.95 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -40.63 -55.16 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.603 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 91.9 t -64.84 -59.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.2 mt-10 -41.35 -29.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.479 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.5 t90 -77.67 -58.84 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -48.95 -23.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 54.3 t -71.75 -52.75 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.737 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -68.54 -37.47 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.487 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.9 mm-40 -62.99 -69.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.3 m -65.59 -53.49 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 115.89 177.34 18.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.69 4.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -127.62 -45.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.46 -27.13 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.5 -140.54 15.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -149.96 164.68 19.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -42.7 -52.01 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tt0 -48.61 -50.45 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 94.5 t -60.87 -48.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.603 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 6.5 t90 -49.99 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.811 ' O ' HD11 ' A' ' 101' ' ' LEU . 38.4 mt -115.24 38.51 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 8.3 tttt -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -40.99 -50.35 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.18 43.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.552 HG13 ' CG2' ' A' ' 63' ' ' VAL . 55.6 t -57.77 -49.78 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.02 -42.01 81.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 81' ' ' PHE . 24.5 mt -56.06 -49.13 74.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -59.63 -40.92 89.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -59.28 -39.37 82.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 21' ' ' GLN . 30.0 tp -56.53 -73.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.472 HG21 ' HB1' ' A' ' 84' ' ' ALA . 9.0 p -42.86 -48.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.7 m-20 -57.5 -42.18 82.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.1 p -49.38 -35.82 19.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' A' ' 88' ' ' TYR . 38.0 mt -71.37 -84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 62.0 m-85 -35.9 149.84 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.34 10.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 10.4 pt-20 -70.67 -23.44 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.4 19.42 27.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -130.2 -71.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 mptm? 41.43 85.73 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -75.03 -44.77 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 80' ' ' GLN . 93.0 t -96.6 160.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 61' ' ' VAL . 16.5 mttt -120.94 100.4 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.801 HG22 ' H ' ' A' ' 65' ' ' GLU . 3.4 p -108.78 125.73 31.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 6.4 3.42 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.801 ' H ' HG22 ' A' ' 63' ' ' VAL . 0.9 OUTLIER 74.91 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -72.08 127.34 90.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -75.02 -87.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.94 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.16 155.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.857 HG22 ' OH ' ' A' ' 102' ' ' TYR . 24.9 t -82.58 -58.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -40.91 -45.62 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -63.51 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -41.07 -49.5 3.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -59.85 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.19 -52.95 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -39.13 -49.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -60.68 -58.1 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.17 -49.13 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' VAL . 54.4 mt-30 -53.0 -41.19 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.732 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.0 t80 -76.76 -45.53 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.695 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.4 mt -49.18 -56.43 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.64 -39.33 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 50' ' ' VAL . . . -63.0 -41.17 99.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.24 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -47.92 83.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.44 -39.22 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.555 ' CE1' HD13 ' A' ' 53' ' ' LEU . 4.2 t80 -53.61 -51.93 61.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.844 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 141.99 43.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 91' ' ' ILE . 41.0 t -99.46 148.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.037 HD12 ' OG1' ' A' ' 93' ' ' THR . 14.5 pt -76.53 179.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 6.36 44.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 1.037 ' OG1' HD12 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -110.56 -0.87 17.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.407 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.879 ' OD1' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -111.02 -18.35 13.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.7 mmm -75.46 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.695 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.2 p90 -108.31 177.32 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.5 mt-30 -98.95 138.73 35.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -42.76 -34.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -74.27 -43.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' GLN . 94.7 m-20 -48.66 -24.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -107.12 -71.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.857 ' OH ' HG22 ' A' ' 71' ' ' VAL . 24.7 t80 -40.17 -51.11 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -88.2 -18.55 28.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.94 34.27 76.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.98 -46.97 85.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -137.48 104.09 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -43.93 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.24 -36.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -72.48 -53.45 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.569 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 86.4 t -40.5 -29.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 109' ' ' ALA . 81.2 mt-30 -82.09 -52.36 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -38.21 -34.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 m -68.73 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.52 HD13 ' HG ' ' A' ' 14' ' ' LEU . 20.7 mt -47.88 -47.87 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.447 ' HE3' HD22 ' A' ' 10' ' ' LEU . 1.9 mtt -48.5 -26.43 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -91.92 -57.99 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.493 HD12 ' CD2' ' A' ' 88' ' ' TYR . 17.2 tp -40.54 -49.63 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -61.17 -67.73 1.99 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -39.25 -45.08 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.971 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.844 HD11 ' O ' ' A' ' 89' ' ' GLY . 6.1 mt -54.69 -50.1 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -66.11 -23.55 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.848 HG13 ' CB ' ' A' ' 133' ' ' PRO . 40.3 t -79.65 -67.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 52.9 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.848 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.94 -35.31 3.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.99 -21.72 8.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.737 ' HH2' HG11 ' A' ' 20' ' ' VAL . 33.9 m0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 107.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.32 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.65 -50.18 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.63 -52.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -58.28 5.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 18' ' ' ILE . 2.7 mp -42.21 -46.73 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.07 -61.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.697 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.9 mt-10 -43.43 -32.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.563 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.7 t90 -75.61 -58.23 3.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 14' ' ' LEU . 10.7 mt -49.35 -23.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 32.8 t -71.88 -53.15 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.738 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.2 m -69.12 -40.83 81.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.675 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.8 mm-40 -56.9 -67.73 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.2 -54.42 14.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.77 175.54 15.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -129.2 -46.45 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 45' ' ' ILE . 34.4 m -69.01 -30.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.23 -155.6 28.7 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -119.78 171.8 5.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.328 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.504 1.791 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -51.02 -37.09 43.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.8 tm0? -62.38 -51.22 68.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.18 -40.68 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 20.1 t90 -53.96 -38.71 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.829 ' O ' HD21 ' A' ' 101' ' ' LEU . 21.1 mt -110.23 43.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -105.28 -58.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -41.29 -54.04 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.41 -32.53 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.584 HG13 ' CG2' ' A' ' 63' ' ' VAL . 24.7 t -43.11 -42.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.401 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 10.3 mt -68.27 -48.63 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 101' ' ' LEU . 29.1 mt -56.4 -46.08 80.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.608 ' HB2' HG11 ' A' ' 61' ' ' VAL . 35.2 p -62.95 -35.71 81.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -67.18 -35.27 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 21' ' ' GLN . 16.1 tp -58.58 -71.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.496 HG22 ' CD1' ' A' ' 54' ' ' TYR . 7.2 p -43.72 -42.06 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.21 -59.26 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.38 -46.52 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.682 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 56.6 mt -61.21 -78.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 60' ' ' PRO . 24.8 m-85 -36.17 151.1 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.44 20.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.39 -39.71 95.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.5 44.58 3.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.64 -73.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 42.18 89.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -60.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.752 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.608 HG11 ' HB2' ' A' ' 47' ' ' SER . 45.2 t -78.44 166.97 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.511 ' N ' HG12 ' A' ' 61' ' ' VAL . 10.3 mttt -130.43 104.74 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.584 ' CG2' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -115.8 126.76 27.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.74 5.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.43 -34.78 76.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -112.4 159.45 33.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.505 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.93 139.5 24.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.763 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -75.02 -169.26 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.63 -157.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.95 166.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.555 HG22 ' OH ' ' A' ' 102' ' ' TYR . 39.5 t -84.77 -61.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -42.48 -48.62 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -62.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -42.64 -58.06 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.531 ' HE3' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -49.36 -49.33 44.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -50.85 58.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -39.82 -55.02 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 81' ' ' PHE . 55.1 t -60.94 -56.36 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.6 -50.72 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.453 ' HB3' HG13 ' A' ' 61' ' ' VAL . 70.7 mt-30 -49.7 -41.95 44.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.38 -45.87 44.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.83 HD21 ' CE1' ' A' ' 96' ' ' PHE . 31.9 mt -48.29 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -48.04 -41.99 27.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.46 89.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.75 -29.16 70.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.94 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -49.78 -44.07 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.682 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 7.4 t80 -45.3 -37.12 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.868 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 126.51 39.42 0.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.517 HG22 HD12 ' A' ' 120' ' ' LEU . 55.3 t -104.18 137.44 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.753 HD11 ' OD1' ' A' ' 94' ' ' ASP . 13.1 pt -67.89 -175.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -99.42 -15.96 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 93' ' ' THR . 0.7 OUTLIER -90.97 2.76 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.753 ' OD1' HD11 ' A' ' 91' ' ' ILE . 83.8 m-20 -110.59 -21.49 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.454 ' SD ' HG23 ' A' ' 113' ' ' THR . 55.3 mmm -77.28 168.43 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' A' ' 82' ' ' LEU . 46.0 p90 -129.88 178.94 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' ASP . 9.0 mt-30 -99.88 131.9 45.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' GLN . 5.9 m -37.06 -47.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.8 p -56.08 -52.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.522 ' N ' HG13 ' A' ' 99' ' ' VAL . 37.4 m-20 -40.0 -30.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.0 tp -99.94 -62.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.555 ' OH ' HG22 ' A' ' 71' ' ' VAL . 10.3 t80 -46.7 -57.52 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' HB2' HG22 ' A' ' 99' ' ' VAL . 51.1 mm-40 -98.2 23.28 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.69 35.53 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -23.3 31.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -175.8 113.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 46.6 mmm -85.65 -34.11 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.59 61.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.22 36.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' A' ' 96' ' ' PHE . 84.8 t -48.36 -26.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -83.15 -50.32 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -31.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.454 HG23 ' SD ' ' A' ' 95' ' ' MET . 34.5 m -67.97 -62.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mt -46.28 -49.58 17.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.407 ' SD ' HD11 ' A' ' 14' ' ' LEU . 86.2 mmm -50.76 -35.48 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.7 -49.18 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.5 tp -50.39 -49.16 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.12 -60.21 9.46 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 t -43.79 -49.2 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.868 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.4 mt -49.24 -39.98 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -75.19 -33.63 61.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 56.7 t -61.04 -37.49 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -44.04 -27.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.738 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.2 m0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.998 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -71.63 -42.64 67.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -61.54 -53.95 49.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 2.5 mm-40 -38.71 -44.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -54.59 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD11 HD11 ' A' ' 10' ' ' LEU . 72.0 mt -44.17 -60.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 19' ' ' VAL . 57.7 t -56.44 -51.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 20' ' ' VAL . 4.5 mm-40 -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.474 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 22.7 t90 -84.24 -61.07 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mt -47.55 -24.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 15' ' ' VAL . 38.3 t -69.74 -53.66 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.739 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -68.22 -40.08 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.7 mm-40 -59.11 -69.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.96 -54.42 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.99 -179.76 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.67 3.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 -51.19 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.5 m -64.02 -30.32 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.04 -151.03 21.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -133.64 158.69 74.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' TRP . 31.5 t80 -49.8 -58.36 5.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.45 -67.12 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.4 t -40.56 -43.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -51.45 -51.8 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.763 ' O ' HD21 ' A' ' 101' ' ' LEU . 5.1 mt -106.96 48.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -100.36 -64.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -51.58 -51.1 58.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 104.4 11.32 31.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.52 1.138 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.515 HG13 HG23 ' A' ' 63' ' ' VAL . 41.4 t -77.12 -56.86 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.61 -40.8 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 40' ' ' LEU . 14.1 mt -53.75 -51.31 63.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.4 m -56.58 -46.02 81.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' HG21 ' A' ' 63' ' ' VAL . 31.4 mttm -54.28 -38.8 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 21' ' ' GLN . 22.4 tp -58.0 -70.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.9 p -46.81 -44.46 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' SER . 7.5 m-80 -59.3 -52.89 63.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASN . 10.6 p -39.13 -39.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' TYR . 28.3 mt -66.7 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.9 m-85 -36.55 154.78 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.48 -30.62 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.59 38.32 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.66 -71.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.23 88.4 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.99 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.663 HG13 ' HB3' ' A' ' 80' ' ' GLN . 48.7 t -100.26 159.38 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -120.68 98.5 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 44' ' ' VAL . 2.5 p -99.91 114.77 65.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -69.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -78.0 145.26 69.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.97 151.42 39.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -75.02 133.76 16.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -56.95 3.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.95 149.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.04 -65.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -38.51 -47.85 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.32 -57.1 14.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -48.25 -58.74 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 6.5 mmm -47.78 -46.01 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.76 -51.21 70.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -39.16 -48.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 ' CA ' ' A' ' 43' ' ' GLY . 95.2 t -66.65 -51.55 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.27 -41.9 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HB3' HG13 ' A' ' 61' ' ' VAL . 72.7 mt-30 -56.55 -45.55 81.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -72.49 -42.31 65.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.741 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 42.9 mt -51.64 -61.73 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -53.89 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.22 99.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.49 -37.98 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -53.42 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.39 -39.87 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -53.64 -54.18 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.841 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 147.26 44.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 120' ' ' LEU . 62.7 t -103.61 138.76 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.575 HD12 ' HB ' ' A' ' 93' ' ' THR . 14.7 pt -74.19 174.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -92.89 3.57 55.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.575 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -102.37 -4.75 25.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.625 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -113.53 -13.34 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.5 mmm -82.4 147.22 28.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.741 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 20.1 p90 -116.51 179.2 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' ASP . 3.1 mt-30 -98.82 138.16 36.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.526 HG22 ' SD ' ' A' ' 75' ' ' MET . 17.7 m -37.56 -40.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.7 p -65.22 -52.59 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.527 ' N ' HG13 ' A' ' 99' ' ' VAL . 97.3 m-20 -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 40' ' ' LEU . 25.8 tp -98.06 -61.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 75' ' ' MET . 19.2 t80 -49.06 -56.39 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.661 ' HB2' HG22 ' A' ' 99' ' ' VAL . 50.4 mm-40 -89.15 11.9 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.13 42.78 0.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -68.52 -30.2 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.5 m-20 -143.65 107.56 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mmt -80.53 -36.52 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.05 97.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -61.31 -55.71 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 106' ' ' ASP . 93.5 t -39.82 -33.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -77.91 -51.72 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -33.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.7 m -73.82 -65.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.01 -43.51 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.6 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -48.09 -39.34 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.625 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -79.27 -52.13 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.7 tp -43.12 -60.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -51.22 -63.95 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -44.1 10.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.841 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.5 mt -54.54 -45.87 73.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.43 68.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' A' ' 133' ' ' PRO . 65.3 t -64.49 -39.92 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.418 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 11.7 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.413 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.04 -24.13 13.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -86.8 47.88 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.739 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.4 m0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -41.19 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -39.04 -55.45 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.47 -52.79 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -63.56 -56.78 13.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 111' ' ' GLN . 19.6 mt -41.52 -56.08 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.694 HG13 ' CH2' ' A' ' 39' ' ' TRP . 97.8 t -60.15 -51.41 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.672 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mm-40 -47.49 -26.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.503 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -82.73 -60.36 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -47.68 -24.75 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' GLY . 21.6 t -69.64 -56.11 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.702 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -64.94 -38.84 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.6 ' OE1' HD21 ' A' ' 53' ' ' LEU . 4.4 mm-40 -60.59 -71.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.14 -54.04 46.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.05 175.67 16.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -128.31 -44.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.453 ' HB ' HD11 ' A' ' 45' ' ' ILE . 30.1 m -72.18 -28.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.56 -156.59 29.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -120.96 167.98 11.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.562 ' CD ' HG11 ' A' ' 15' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -37.81 -58.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' HE1' ' A' ' 107' ' ' MET . 0.9 OUTLIER -43.76 -55.48 4.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.97 -43.63 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.694 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.7 t90 -50.46 -38.15 42.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.798 ' O ' HD21 ' A' ' 101' ' ' LEU . 44.5 mt -111.7 44.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 50.9 tttt -108.55 -56.18 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -44.01 -41.32 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.61 -33.06 5.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.2 t -45.02 -49.56 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.453 HD11 ' HB ' ' A' ' 26' ' ' VAL . 7.5 mt -60.02 -41.75 87.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 HD21 ' A' ' 101' ' ' LEU . 39.0 mt -63.22 -49.86 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.689 ' HB2' HG11 ' A' ' 61' ' ' VAL . 59.9 p -59.29 -37.43 77.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.73 ' HE2' HG11 ' A' ' 63' ' ' VAL . 29.3 mttm -65.85 -32.3 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 21' ' ' GLN . 20.3 tp -63.08 -74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.6 p -41.62 -47.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.429 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -53.03 -58.65 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -40.52 -49.37 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD21 ' OE1' ' A' ' 21' ' ' GLN . 61.3 mt -55.02 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -39.12 138.57 0.85 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.4 Cg_endo -74.98 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.24 137.12 57.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.77 -9.94 58.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -100.85 -28.33 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -39.01 110.09 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 47' ' ' SER . 70.0 t -75.03 157.76 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -122.59 98.99 6.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.73 HG11 ' HE2' ' A' ' 48' ' ' LYS . 58.9 t -69.11 113.34 15.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.26 42.91 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.26 -56.82 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -98.95 157.97 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 73' ' ' LYS . 18.3 Cg_endo -74.98 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER 79.73 -58.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mtt -59.84 139.55 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.899 HG22 ' OH ' ' A' ' 102' ' ' TYR . 60.3 t -48.77 -74.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -38.89 -39.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -68.04 -61.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -44.41 -57.14 3.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.514 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 7.3 mmm -45.99 -42.83 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -48.22 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -42.13 -51.83 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.26 -49.41 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.96 -48.08 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -51.3 -41.83 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -75.82 -47.64 24.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.917 HD21 ' CE1' ' A' ' 96' ' ' PHE . 32.2 mt -46.38 -62.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -51.51 -41.23 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.19 -42.82 99.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -52.59 -43.79 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.94 71.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -47.6 -47.9 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.535 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 4.4 t80 -45.65 -33.44 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.809 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 124.23 39.38 0.48 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 HD12 ' A' ' 120' ' ' LEU . 44.8 t -105.27 136.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.64 HD12 ' HB ' ' A' ' 93' ' ' THR . 8.5 pt -73.69 169.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -87.96 6.57 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.64 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -103.24 -11.65 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.23 -14.7 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.441 ' HA ' HG23 ' A' ' 113' ' ' THR . 50.0 mmm -76.26 152.81 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.917 ' CE1' HD21 ' A' ' 82' ' ' LEU . 41.0 p90 -111.42 -179.89 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.8 mm-40 -103.3 128.62 50.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.2 m -36.8 -45.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.9 p -58.84 -52.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.536 ' N ' HG13 ' A' ' 99' ' ' VAL . 76.6 m-20 -41.21 -28.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.798 HD21 ' O ' ' A' ' 40' ' ' LEU . 11.3 tp -98.79 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.899 ' OH ' HG22 ' A' ' 71' ' ' VAL . 37.8 t80 -48.42 -53.96 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.553 ' HB2' HG22 ' A' ' 99' ' ' VAL . 5.7 mm-40 -97.54 18.77 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -52.41 -41.42 63.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 110' ' ' VAL . 2.0 t70 -150.34 100.61 2.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.494 ' HE1' ' HA ' ' A' ' 37' ' ' GLN . 1.5 mmt -67.92 -39.76 83.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -58.03 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -47.01 -60.53 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 110' ' ' VAL . 25.6 t -39.29 -41.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 58.8 mt-30 -74.16 -49.56 23.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -30.64 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 95' ' ' MET . 42.0 m -77.35 -61.26 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.95 -46.67 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.451 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -44.41 -40.03 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 117' ' ' LEU . . . -80.25 -53.27 6.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 116' ' ' ALA . 22.8 tp -40.38 -47.66 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.3 -66.35 2.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 t -43.03 -46.65 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.809 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.2 mt -52.67 -42.26 64.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -71.61 -32.09 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.37 -52.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.13 16.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -87.27 46.78 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.702 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.7 m0 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -65.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.92 -59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -41.56 -49.57 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -57.37 7.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.1 mt -41.28 -55.82 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.699 HG13 ' CH2' ' A' ' 39' ' ' TRP . 60.4 t -59.17 -49.93 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.656 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mm-40 -49.96 -25.57 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.554 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 25.9 t90 -83.5 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG23 ' SG ' ' A' ' 22' ' ' CYS . 11.2 mt -42.67 -29.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 15' ' ' VAL . 20.7 t -64.29 -55.2 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.754 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -66.94 -44.92 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.727 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.4 mm-40 -57.01 -67.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.421 ' SG ' HG23 ' A' ' 18' ' ' ILE . 71.1 m -63.38 -54.06 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 115.47 176.21 18.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.42 3.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.13 -47.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.5 -32.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.42 -141.73 16.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -128.85 165.82 29.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -41.76 -51.55 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HA ' ' HE1' ' A' ' 107' ' ' MET . 0.9 OUTLIER -42.75 -64.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.3 -47.09 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.699 ' CH2' HG13 ' A' ' 15' ' ' VAL . 2.8 t90 -43.48 -46.0 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.825 ' O ' HD11 ' A' ' 101' ' ' LEU . 13.8 mt -111.8 53.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -107.36 -65.86 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -41.57 -49.6 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.65 -20.97 24.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 67' ' ' PRO . 54.0 t -51.88 -49.69 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mt -60.83 -37.87 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.741 HD22 ' CE2' ' A' ' 81' ' ' PHE . 33.4 mt -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' HG11 ' A' ' 61' ' ' VAL . 95.6 p -64.5 -40.86 96.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE2' ' CG1' ' A' ' 63' ' ' VAL . 26.2 mttm -62.08 -33.16 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.727 HD12 ' HB3' ' A' ' 21' ' ' GLN . 29.7 tp -60.5 -74.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 54' ' ' TYR . 10.3 p -42.41 -45.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' SER . 1.0 OUTLIER -50.67 -59.93 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -38.45 -47.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.484 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 30.4 mt -59.6 -82.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 41.8 m-85 -37.18 149.88 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -172.85 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 8.6 pt-20 -81.86 -26.55 34.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.49 17.35 34.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -71.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 41.75 89.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.573 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.06 -61.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.473 HG11 ' HB2' ' A' ' 47' ' ' SER . 57.8 t -84.16 157.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.53 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.449 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 67.2 t -81.06 114.21 47.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -173.42 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.87 -56.35 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -129.54 153.23 80.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HB3' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 136.37 20.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.432 1.754 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.99 -177.99 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.44 -40.31 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.71 163.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 ' OH ' ' A' ' 102' ' ' TYR . 85.2 t -82.63 -63.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -38.89 -47.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -61.2 -65.32 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -44.4 -56.96 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -51.57 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.46 -54.2 48.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -39.82 -46.75 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' PHE . 78.5 t -65.41 -57.96 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.53 -46.61 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -52.08 -45.95 65.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.741 ' CE2' HD22 ' A' ' 46' ' ' LEU . 1.2 t80 -70.52 -46.86 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.718 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.8 mt -46.31 -53.5 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -59.12 -40.74 86.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 50' ' ' VAL . . . -62.72 -40.84 98.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.8 -54.47 46.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.22 -35.11 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -59.44 -46.59 88.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 120' ' ' LEU . 1.5 t80 -49.66 -55.39 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.785 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 152.08 43.07 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.33 135.23 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.903 HD12 ' OG1' ' A' ' 93' ' ' THR . 25.8 pt -58.91 174.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -91.7 -10.48 40.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.903 ' OG1' HD12 ' A' ' 91' ' ' ILE . 67.7 p -97.08 4.07 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.608 ' OD1' HD11 ' A' ' 91' ' ' ILE . 61.9 m-20 -108.31 -21.98 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.12 129.27 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 13.1 p90 -107.08 179.01 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.7 mt-30 -95.61 133.94 39.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.4 m -38.61 -42.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.604 HG22 ' HB2' ' A' ' 103' ' ' GLU . 7.4 p -62.62 -52.18 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.521 ' N ' HG13 ' A' ' 99' ' ' VAL . 73.9 m-20 -38.33 -32.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.825 HD11 ' O ' ' A' ' 40' ' ' LEU . 14.7 tp -101.03 -65.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.515 ' OH ' HG22 ' A' ' 71' ' ' VAL . 29.0 t80 -42.01 -49.49 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.604 ' HB2' HG22 ' A' ' 99' ' ' VAL . 72.0 mm-40 -104.68 23.77 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 34.68 35.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -57.51 -44.3 84.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 110' ' ' VAL . 52.0 m-20 -143.75 97.59 3.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -69.11 -38.67 79.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.81 -41.0 31.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -67.52 -54.46 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.581 HG22 ' HB2' ' A' ' 101' ' ' LEU . 57.8 t -39.55 -34.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -75.04 -52.53 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -35.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.4 m -72.27 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -28.22 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.525 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -85.58 -55.1 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.421 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -46.26 -60.52 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.554 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -48.14 -67.69 1.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -44.87 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.785 HD11 ' C ' ' A' ' 89' ' ' GLY . 1.3 mt -53.43 -47.27 69.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.29 93.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.3 t -64.58 -50.11 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.515 ' HB2' ' CE2' ' A' ' 135' ' ' TRP . 1.5 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.47 8.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.754 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.4 m0 . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.59 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.6 OUTLIER -49.13 -68.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.49 -57.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.11 -49.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 13' ' ' ARG . 13.4 ttm105 -67.61 -56.76 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -40.14 -52.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' CH2' ' A' ' 39' ' ' TRP . 60.7 t -65.77 -61.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mt-10 -38.6 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.448 ' C ' ' N ' ' A' ' 19' ' ' VAL . 12.6 t90 -76.26 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 14' ' ' LEU . 6.7 mt -42.37 -27.8 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' TRP . 7.9 t -62.22 -53.73 43.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -65.89 -50.45 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -51.79 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.45 -53.88 50.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 110.08 178.29 20.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.44 3.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.81 -47.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' HD11 ' A' ' 45' ' ' ILE . 34.7 m -69.33 -32.59 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.58 -129.58 9.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -163.01 169.01 9.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -42.38 -60.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -45.49 -49.85 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.25 -42.84 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 15' ' ' VAL . 12.9 t90 -53.23 -44.02 67.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 107.999 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.769 ' O ' HD21 ' A' ' 101' ' ' LEU . 79.3 mt -106.91 42.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -104.35 -57.46 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -40.24 -54.29 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.06 -31.87 7.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.527 HG11 ' O ' ' A' ' 65' ' ' GLU . 46.9 t -49.86 -45.75 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.401 HD11 ' HB ' ' A' ' 26' ' ' VAL . 7.8 mt -60.07 -49.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.636 HD11 HD21 ' A' ' 101' ' ' LEU . 33.0 mt -53.29 -48.92 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -60.22 -40.99 92.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HD2' HG12 ' A' ' 44' ' ' VAL . 8.1 mttm -61.87 -35.23 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 21' ' ' GLN . 22.7 tp -58.43 -74.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 51' ' ' ASN . 3.3 p -45.32 -46.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 50' ' ' VAL . 8.6 m-80 -56.58 -52.98 62.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -50.5 -53.1 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' TYR . 46.9 mt -50.27 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 20.3 m-85 -36.06 145.93 0.22 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -57.73 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.95 40.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.85 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.02 101.15 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.06 -43.25 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 81' ' ' PHE . 93.2 t -93.22 152.58 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -115.26 102.1 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.81 HG22 ' H ' ' A' ' 65' ' ' GLU . 3.4 p -106.91 125.62 32.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -75.03 4.12 5.04 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.81 ' H ' HG22 ' A' ' 63' ' ' VAL . 1.4 tt0 79.7 -71.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.06 132.54 82.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.01 145.05 30.93 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.02 -88.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.74 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtt -42.38 156.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.594 HG13 ' CE2' ' A' ' 102' ' ' TYR . 36.9 t -79.27 -53.01 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -45.37 -53.57 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -55.52 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -40.06 -52.13 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -54.86 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.32 -48.34 46.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -41.22 -52.77 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -57.98 -51.85 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.47 -50.57 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -49.63 -40.51 39.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.566 ' HA ' HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -75.33 -45.16 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 25.8 mt -50.3 -52.77 33.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.97 -32.23 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.6 -38.32 67.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 86' ' ' GLU . . . -54.59 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -34.91 -48.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -56.73 10.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 7.8 t80 -41.5 -36.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.481 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 147.56 -18.39 1.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 94' ' ' ASP . 83.9 t -44.11 153.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.671 HD12 ' OG1' ' A' ' 93' ' ' THR . 8.6 pt -103.15 -170.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -99.2 -9.57 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.671 ' OG1' HD12 ' A' ' 91' ' ' ILE . 11.5 p -83.89 -20.6 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.462 ' CG ' HG13 ' A' ' 90' ' ' VAL . 6.8 p30 -102.84 -13.36 17.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.42 145.2 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 12.0 p90 -122.64 175.5 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -96.72 137.82 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -43.13 -37.3 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -68.3 -46.82 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 81.9 m-20 -44.52 -27.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 40' ' ' LEU . 20.9 tp -104.84 -63.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.594 ' CE2' HG13 ' A' ' 71' ' ' VAL . 16.7 t80 -50.44 -56.81 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.04 10.21 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.08 46.66 1.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -72.67 -42.6 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -150.46 108.55 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 43.3 mmm -83.15 -36.16 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.84 -33.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 -49.65 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 101' ' ' LEU . 54.4 t -42.45 -31.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.443 ' HG2' ' CD2' ' A' ' 14' ' ' LEU . 72.3 mt-30 -76.56 -52.63 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.33 -34.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.441 HG21 ' CE2' ' A' ' 96' ' ' PHE . 1.6 m -69.06 -55.71 9.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.415 HD13 ' HG ' ' A' ' 14' ' ' LEU . 16.5 mt -58.99 -51.34 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.59 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.43 -33.43 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.42 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 117' ' ' LEU . 13.0 tp -47.17 -62.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -44.87 -67.58 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 -46.47 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.481 HD11 ' C ' ' A' ' 89' ' ' GLY . 3.1 mt -54.59 -45.45 73.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.37 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.712 HG13 ' CB ' ' A' ' 133' ' ' PRO . 54.0 t -68.92 -40.55 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.712 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -54.22 -20.62 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.704 ' HH2' HG11 ' A' ' 20' ' ' VAL . 28.3 m0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 108.027 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.63 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -78.11 -44.88 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.96 -50.68 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -41.0 -47.98 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -60.93 -53.41 57.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.714 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -40.47 -55.87 2.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.836 HG13 ' CH2' ' A' ' 39' ' ' TRP . 43.2 t -62.71 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.724 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.3 mt-10 -41.96 -31.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 18.3 t90 -78.06 -65.51 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mt -43.71 -27.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLY . 24.5 t -66.81 -54.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.764 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.2 m -66.5 -37.76 80.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.551 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.5 mm-40 -61.58 -70.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.4 m -63.92 -53.8 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.31 179.1 16.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.37 3.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.81 -52.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.9 m -63.84 -33.63 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.45 -149.26 20.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -129.61 169.05 14.19 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 59.6 t80 -53.39 -42.49 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -50.29 -58.85 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.94 -44.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.836 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.2 t90 -46.82 -39.3 11.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.775 ' O ' HD11 ' A' ' 101' ' ' LEU . 50.8 mt -112.32 47.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -109.48 -58.13 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -40.3 -58.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.44 -34.8 4.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.712 HG13 ' CG2' ' A' ' 63' ' ' VAL . 79.1 t -46.64 -45.26 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.72 -57.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.536 HD11 HD21 ' A' ' 101' ' ' LEU . 27.9 mt -50.51 -42.39 54.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.437 ' HB2' HG11 ' A' ' 61' ' ' VAL . 83.1 p -66.95 -40.0 87.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -62.43 -35.39 79.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 21' ' ' GLN . 22.0 tp -59.79 -71.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -45.43 -46.04 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.05 -53.16 59.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.1 p -39.75 -46.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.59 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 35.2 m-85 -43.86 134.03 3.95 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.2 25.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -50.91 133.22 27.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.71 -30.31 7.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.55 -16.05 50.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.09 101.57 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -70.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.493 HG21 ' HA ' ' A' ' 81' ' ' PHE . 67.6 t -56.39 158.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -117.56 103.32 9.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.712 ' CG2' HG13 ' A' ' 44' ' ' VAL . 1.3 p -117.32 118.95 35.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.76 -50.88 71.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -98.36 145.97 30.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.07 144.24 29.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.97 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.11 -47.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.12 146.03 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.87 -71.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -40.17 -32.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -65.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -48.41 -54.7 13.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -42.71 39.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.3 -43.08 82.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -46.4 -49.77 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.24 -53.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.08 -49.29 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.401 ' HB3' HG13 ' A' ' 61' ' ' VAL . 72.2 mt-30 -50.64 -44.64 57.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.493 ' HA ' HG21 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -72.48 -45.72 58.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.498 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -48.24 -54.0 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -60.42 -39.62 88.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.7 95.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.73 -29.61 70.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -51.91 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -35.56 51.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.8 -50.29 63.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.886 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 142.13 43.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.458 HG22 HD12 ' A' ' 120' ' ' LEU . 79.5 t -106.94 133.58 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.68 HD11 ' OD1' ' A' ' 94' ' ' ASP . 29.2 pt -58.39 -172.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -108.07 -2.58 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.625 ' OG1' HD12 ' A' ' 91' ' ' ILE . 13.0 p -104.83 3.18 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.68 ' OD1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.44 -14.95 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.42 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 66.6 mmm -84.98 158.93 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 47.5 p90 -125.44 175.45 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -94.43 136.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 9.9 m -36.72 -50.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.8 p -55.1 -53.05 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.527 ' N ' HG13 ' A' ' 99' ' ' VAL . 20.7 m-20 -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.775 HD11 ' O ' ' A' ' 40' ' ' LEU . 19.4 tp -99.51 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.01 -54.96 5.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HB2' HG22 ' A' ' 99' ' ' VAL . 39.6 mm-40 -100.08 22.63 11.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.57 35.86 0.23 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -28.53 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.41 100.1 1.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -40.47 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.58 -29.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -77.78 -50.6 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 60.6 t -40.84 -29.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.446 ' N ' ' C ' ' A' ' 109' ' ' ALA . 84.6 mt-30 -76.61 -54.37 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -37.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.7 m -64.8 -65.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 14' ' ' LEU . 6.2 mt -50.12 -53.54 26.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.63 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.76 -26.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.483 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -93.11 -57.52 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.3 tp -42.31 -62.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.564 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -44.5 -64.78 1.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -41.25 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.886 HD11 ' O ' ' A' ' 89' ' ' GLY . 4.2 mt -62.11 -48.6 79.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.69 81.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 133' ' ' PRO . 53.0 t -70.78 -51.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.406 ' HB3' HG13 ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -44.47 -27.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.764 ' HH2' HG11 ' A' ' 20' ' ' VAL . 37.1 m0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.064 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -61.51 1.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -61.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -41.36 -55.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -61.75 -54.53 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 mt -41.06 -54.37 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.921 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 47.0 t -61.14 -50.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.708 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.3 mm-40 -44.64 -26.7 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.498 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -81.65 -59.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mt -48.78 -23.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 38.9 t -71.32 -53.45 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.13 -38.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.788 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.0 mm-40 -64.22 -71.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.7 m -61.18 -53.48 56.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.79 176.96 20.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.02 -45.6 1.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.15 -30.04 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.14 -143.86 16.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.454 1.097 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -141.74 170.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -52.35 -44.41 65.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.76 -49.83 72.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.31 -36.34 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.921 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 3.2 t90 -54.53 -38.05 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.817 ' O ' HD11 ' A' ' 101' ' ' LEU . 26.1 mt -112.52 43.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 41.0 tttt -108.52 -59.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -40.5 -51.42 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.83 -29.5 11.2 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 68' ' ' PRO . 40.1 t -45.56 -55.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 48' ' ' LYS . 6.1 mt -55.91 -58.3 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 81' ' ' PHE . 25.3 mt -49.1 -41.54 36.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.428 ' HB3' HG11 ' A' ' 61' ' ' VAL . 63.9 m -66.17 -28.74 69.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.748 ' HE2' HG11 ' A' ' 63' ' ' VAL . 35.4 mttm -76.92 -37.96 54.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HB3' ' A' ' 21' ' ' GLN . 14.4 tp -58.81 -71.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 51' ' ' ASN . 14.0 p -41.74 -47.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 50' ' ' VAL . 2.9 m-20 -58.5 -53.49 57.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -43.14 -40.59 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.788 HD21 ' OE1' ' A' ' 21' ' ' GLN . 40.3 mt -65.54 -80.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.557 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.1 m-85 -36.49 152.97 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.3 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 7.0 pt-20 -91.27 -23.29 20.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.81 19.72 28.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -130.98 -69.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 mptm? 42.22 85.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -75.0 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.767 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -89.49 165.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.363 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.494 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -130.7 98.79 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.748 HG11 ' HE2' ' A' ' 48' ' ' LYS . 50.1 t -73.08 113.96 26.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -48.68 -48.54 39.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -98.6 152.89 38.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.03 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.2 OUTLIER 84.6 -63.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.3 mtt -56.43 153.2 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.41 -69.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -44.36 -40.94 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 34.1 mmtt -68.1 -59.77 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -48.81 -54.23 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.33 -49.22 64.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.23 -51.14 70.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -42.56 -47.98 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.12 -50.6 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.62 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -49.56 -41.79 42.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.558 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.94 -46.29 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.833 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 37.5 mt -49.72 -62.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -53.09 -40.47 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.95 97.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.66 68.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -55.2 37.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' TYR . 6.5 m-20 -45.05 -54.33 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 6.2 t80 -37.03 -35.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.421 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 141.93 -14.31 2.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' OD2' ' A' ' 94' ' ' ASP . 76.7 t -48.93 150.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.692 HD12 ' OG1' ' A' ' 93' ' ' THR . 14.3 pt -96.46 -171.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.16 0.56 34.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.692 ' OG1' HD12 ' A' ' 91' ' ' ILE . 8.4 p -100.26 -12.49 19.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.556 ' OD2' HG13 ' A' ' 90' ' ' VAL . 14.4 p30 -108.57 -12.6 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 56.9 mmm -81.28 146.46 30.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.833 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.5 p90 -110.86 -176.65 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' ASP . 8.9 mt-30 -100.91 134.22 44.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.0 m -38.62 -38.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 100' ' ' ASP . 6.5 p -67.45 -52.1 45.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.508 ' N ' HG13 ' A' ' 99' ' ' VAL . 84.5 m-20 -40.48 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 40' ' ' LEU . 10.8 tp -100.47 -63.36 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.434 ' CE1' ' HE3' ' A' ' 41' ' ' LYS . 22.5 t80 -42.44 -56.56 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' LYS . 2.2 mm-40 -99.9 21.58 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.99 29.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.2 mmtt -49.83 -28.65 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -160.41 100.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.92 -45.84 69.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.56 -48.45 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -58.24 -57.07 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.56 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 64.7 t -39.66 -34.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -79.05 -50.5 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -43.54 -32.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -71.72 -66.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.5 mt -47.21 -47.53 24.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -35.03 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.59 -46.67 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 117' ' ' LEU . 13.9 tp -46.16 -58.72 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -56.57 -59.73 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.98 -41.45 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -55.98 -46.92 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 118' ' ' GLY . . . -70.18 -31.07 68.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 133' ' ' PRO . 60.0 t -62.79 -42.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 4.6 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.444 ' O ' HG22 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.0 -22.83 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -87.78 45.16 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.608 ' HH2' HG11 ' A' ' 20' ' ' VAL . 16.3 m0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 108.005 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.5 OUTLIER -42.38 -64.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 4.3 tt0 -38.75 -56.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.35 -51.39 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -66.87 -54.71 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 18' ' ' ILE . 48.7 mt -41.36 -55.45 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.587 HG13 ' CH2' ' A' ' 39' ' ' TRP . 87.3 t -59.8 -50.98 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mm-40 -45.24 -26.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.677 ' CZ3' HD21 ' A' ' 49' ' ' LEU . 18.2 t90 -85.35 -68.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.0 mt -40.95 -27.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' N ' ' C ' ' A' ' 17' ' ' TRP . 10.1 t -65.81 -56.46 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.732 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.4 m -60.49 -46.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 1.7 mm-40 -55.53 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' HG23 ' A' ' 45' ' ' ILE . 44.6 m -55.0 -52.61 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 112.22 176.88 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.59 3.68 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.69 -45.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 m -70.5 -32.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.85 -139.95 14.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -142.44 162.36 45.23 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 36.2 t80 -48.38 -55.26 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -42.41 -68.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -40.46 -43.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CH2' HG13 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -52.83 -52.22 57.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.707 ' O ' HD21 ' A' ' 101' ' ' LEU . 11.8 mt -106.0 47.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -99.12 -62.94 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -53.92 -49.57 68.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -17.33 31.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 67' ' ' PRO . 34.7 t -47.05 -60.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.565 HG23 ' SG ' ' A' ' 22' ' ' CYS . 68.9 mt -54.7 -47.23 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 40' ' ' LEU . 18.5 mt -52.01 -42.93 63.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.555 ' OG ' HG11 ' A' ' 61' ' ' VAL . 34.9 m -66.52 -36.14 81.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HE2' HG11 ' A' ' 63' ' ' VAL . 18.4 mttm -62.93 -34.39 77.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.677 HD21 ' CZ3' ' A' ' 17' ' ' TRP . 20.8 tp -63.48 -70.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 51' ' ' ASN . 10.9 p -44.12 -48.41 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.0 m-80 -52.33 -56.18 16.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 p -43.05 -49.44 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 65.9 mt -54.18 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 60' ' ' PRO . 26.3 m-85 -35.75 143.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 168.7 24.25 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 139.2 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.29 -38.65 3.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -88.45 45.53 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.951 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.41 114.15 51.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 -59.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG11 ' OG ' ' A' ' 47' ' ' SER . 91.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -112.53 106.09 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG11 ' HE2' ' A' ' 48' ' ' LYS . 88.6 t -72.27 117.21 56.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.04 32.16 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.94 -66.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -110.81 157.39 38.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.06 141.3 26.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.94 173.59 14.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.67 -48.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.2 mmt -42.46 160.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 ' OH ' ' A' ' 102' ' ' TYR . 76.6 t -73.2 -68.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.88 -47.0 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -63.5 -67.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.6 -52.85 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.406 ' CE ' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -53.66 -55.32 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -43.62 -48.36 7.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 82' ' ' LEU . 97.2 t -64.22 -51.62 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.15 -42.62 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.1 -46.1 79.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 46' ' ' LEU . 9.2 t80 -72.11 -43.03 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.8 mt -52.17 -62.96 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -53.99 -38.46 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.44 96.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -57.21 -49.6 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -47.59 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.08 -41.06 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.44 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 2.9 t80 -53.61 -52.48 59.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.838 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 146.09 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -104.33 131.02 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.745 HD12 ' OG1' ' A' ' 93' ' ' THR . 27.5 pt -56.97 -171.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -3.74 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.745 ' OG1' HD12 ' A' ' 91' ' ' ILE . 79.2 p -102.55 1.12 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -112.04 -13.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.47 139.53 32.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 26.4 p90 -106.82 174.1 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.2 mt-30 -92.64 136.81 32.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -38.85 -37.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.9 p -68.4 -52.42 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 99' ' ' VAL . 94.5 m-20 -39.41 -30.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.707 HD21 ' O ' ' A' ' 40' ' ' LEU . 21.9 tp -100.59 -64.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.672 ' OH ' HG22 ' A' ' 71' ' ' VAL . 25.5 t80 -44.58 -53.1 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.642 ' HB2' HG22 ' A' ' 99' ' ' VAL . 10.9 mm-40 -97.65 20.12 12.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.81 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.4 mtpt -59.7 -31.68 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -150.74 111.39 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.29 -52.99 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.58 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -64.69 -56.13 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 101' ' ' LEU . 48.9 t -40.07 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 96.3 mt-30 -80.48 -52.82 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -34.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 m -70.48 -66.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.4 mt -48.68 -47.55 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.471 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -41.91 -37.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.24 -56.34 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 88' ' ' TYR . 15.0 tp -41.65 -55.83 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -53.29 -66.09 2.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -45.42 -44.62 12.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.8 mt -55.74 -50.64 69.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.62 -50.91 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 14.5 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.35 7.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -82.31 52.43 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.732 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.4 m0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.989 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.26 -59.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.25 -62.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.81 -50.48 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.55 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -42.56 -56.91 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.9 t -57.83 -54.57 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 20' ' ' VAL . 6.1 mt-10 -44.36 -29.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.2 t90 -81.24 -53.46 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.04 -19.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 15' ' ' VAL . 71.5 t -77.03 -51.26 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.742 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -68.05 -40.78 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.675 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.8 mm-40 -60.74 -69.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.87 -53.81 44.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.96 175.11 17.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.22 4.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.41 -46.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -70.74 -31.7 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.27 -142.96 16.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -125.04 172.28 6.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.587 ' HG3' HG21 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -37.88 -56.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.757 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG2' HD12 ' A' ' 101' ' ' LEU . 1.8 tm0? -46.62 -48.14 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.13 -45.92 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.619 ' CH2' HG13 ' A' ' 15' ' ' VAL . 10.5 t90 -48.82 -36.98 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.812 ' O ' HD11 ' A' ' 101' ' ' LEU . 13.7 mt -112.42 49.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -107.61 -57.03 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -41.27 -55.81 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.99 -37.48 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.854 HG13 ' CG2' ' A' ' 63' ' ' VAL . 77.6 t -43.12 -50.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.796 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.4 mt -57.49 -58.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 46' ' ' LEU . 23.9 mt -50.68 -50.71 54.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -57.23 -37.16 71.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HG3' HG21 ' A' ' 63' ' ' VAL . 23.0 mttm -64.29 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.651 HD12 ' HB3' ' A' ' 21' ' ' GLN . 24.2 tp -57.48 -73.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 51' ' ' ASN . 14.2 p -43.91 -47.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.8 m-80 -53.96 -54.99 31.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -45.52 -41.86 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.937 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD21 ' OE1' ' A' ' 21' ' ' GLN . 84.2 mt -60.62 -85.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 58.9 m-85 -36.34 153.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.26 39.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 3.9 pt-20 -57.17 -37.18 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.19 37.69 3.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -174.31 44.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.4 mptm? -75.32 113.88 30.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.576 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.02 -69.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 80' ' ' GLN . 46.7 t -81.78 163.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 61' ' ' VAL . 49.5 mttt -125.07 99.77 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.854 ' CG2' HG13 ' A' ' 44' ' ' VAL . 2.5 p -98.51 114.32 65.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.87 -57.52 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -84.83 145.76 44.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.02 147.77 34.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HD3' ' CG2' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 139.15 23.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.91 -51.08 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.53 132.67 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.713 HG13 ' OH ' ' A' ' 102' ' ' TYR . 72.6 t -54.01 -61.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -39.11 -54.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.07 -65.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -39.77 -61.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.5 mtp -44.57 -45.23 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -50.54 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.562 ' OE1' HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.95 -45.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' PHE . 89.2 t -69.18 -56.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.53 -45.19 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.466 ' CB ' HG13 ' A' ' 61' ' ' VAL . 69.9 mt-30 -53.23 -45.51 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.5 t80 -71.08 -45.76 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.039 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.7 mt -47.56 -59.15 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -57.55 -40.08 78.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.36 84.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -65.63 -49.64 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.14 -45.3 61.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -45.37 78.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.523 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.8 t80 -42.53 -30.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.821 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 120.83 36.08 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.0 t -91.87 157.54 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 93' ' ' THR . 38.2 pt -76.04 -175.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.79 -5.79 17.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 91' ' ' ILE . 12.0 p -99.63 1.2 43.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.637 ' OD1' HD11 ' A' ' 91' ' ' ILE . 6.2 m-20 -109.23 -21.4 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.99 142.75 58.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 1.039 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 38.3 p90 -116.17 174.52 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.45 141.82 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 m -47.33 -35.75 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -69.17 -45.71 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.421 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 70.3 m-20 -44.37 -27.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 ' O ' ' A' ' 40' ' ' LEU . 35.9 tp -104.66 -61.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.713 ' OH ' HG13 ' A' ' 71' ' ' VAL . 9.7 t80 -47.08 -53.38 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLY . 2.8 mm-40 -99.17 18.37 17.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.23 42.79 0.89 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -71.52 -31.29 66.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -153.13 90.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 107' ' ' MET . 0.7 OUTLIER -74.04 -45.39 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 107' ' ' MET . . . -47.44 -37.76 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -67.79 -52.9 31.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 51.6 t -39.4 -37.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' ARG . 45.1 mt-30 -69.51 -51.59 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' ALA . 1.7 ttm180 -38.29 -34.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.443 HG21 ' HE1' ' A' ' 96' ' ' PHE . 1.3 m -75.38 -56.73 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.4 mt -52.22 -50.69 61.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -40.8 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.69 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 88' ' ' TYR . 20.4 tp -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -61.39 -65.37 3.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -48.94 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.821 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.5 mt -53.72 -48.42 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -68.32 -22.2 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 118' ' ' GLY . 60.3 t -78.65 -58.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.674 ' HB2' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.95 -34.45 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -51.17 -22.72 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.742 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.8 m0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.692 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -85.61 -48.83 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 5.1 tt0 -57.15 -45.91 83.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 1.6 mm-40 -38.6 -50.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -56.66 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -40.84 -54.25 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.712 HG13 ' CH2' ' A' ' 39' ' ' TRP . 22.0 t -66.39 -62.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.713 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.4 mt-10 -41.02 -34.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.5 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 19.8 t90 -74.43 -61.39 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 14' ' ' LEU . 8.6 mt -45.77 -27.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 47.9 t -68.51 -53.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.1 m -69.79 -36.38 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.592 ' HB3' HD12 ' A' ' 49' ' ' LEU . 3.2 mm-40 -65.22 -68.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.8 -51.57 54.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 118.5 175.45 16.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.1 3.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -126.07 -51.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.9 m -64.3 -30.92 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.59 -149.35 21.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -130.65 170.68 10.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 40' ' ' LEU . 55.2 t80 -46.77 -50.32 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -48.56 -44.74 36.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.82 -35.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.712 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.3 t90 -54.8 -44.7 74.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.825 ' O ' HD21 ' A' ' 101' ' ' LEU . 13.0 mt -107.68 43.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -103.2 -53.4 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 0.8 OUTLIER -47.0 -55.23 8.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.05 -30.65 8.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -47.79 -45.4 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -54.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 81' ' ' PHE . 20.6 mt -50.2 -50.36 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.516 ' HB3' HG11 ' A' ' 61' ' ' VAL . 73.7 m -61.34 -34.82 75.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.05 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 52' ' ' SER . 18.8 mttm -67.42 -35.93 80.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 21' ' ' GLN . 30.8 tp -57.21 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.3 p -41.82 -49.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 50' ' ' VAL . 1.7 m-80 -46.22 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -41.64 -52.34 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.03 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 50' ' ' VAL . 34.4 mt -51.25 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 42.5 m-85 -45.81 136.32 6.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.1 Cg_endo -75.03 -176.17 2.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 1.6 mt-10 -63.02 136.04 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.97 -12.43 57.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' LYS . 6.8 t -98.71 -27.51 13.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -37.72 108.21 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.496 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 47' ' ' SER . 60.6 t -80.8 162.2 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.44 ' N ' HG12 ' A' ' 61' ' ' VAL . 7.0 mttm -131.86 97.08 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 t -64.33 112.28 7.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.72 34.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.12 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -87.6 129.12 52.11 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.77 37.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.08 -45.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -61.82 138.86 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.698 HG13 ' H ' ' A' ' 72' ' ' PHE . 0.9 OUTLIER -43.2 -70.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.698 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.1 m-85 -50.85 -20.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.3 mmtp -82.72 -70.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' MET . 69.4 mt-30 -50.68 -42.99 57.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -44.37 36.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.71 -42.51 88.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.562 HG11 HD23 ' A' ' 101' ' ' LEU . 38.8 t -72.73 -39.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.32 -49.1 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' HB3' HG22 ' A' ' 61' ' ' VAL . 77.0 mt-30 -51.25 -46.7 62.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.3 t80 -69.46 -43.4 73.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.9 mt -50.81 -54.77 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -59.62 -39.5 84.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.58 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -57.37 -46.13 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.35 -53.81 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 117' ' ' LEU . 3.0 t80 -52.71 -50.48 63.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.892 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 141.71 44.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.473 HG22 HD12 ' A' ' 120' ' ' LEU . 78.4 t -104.86 132.25 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.456 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 10.1 pt -56.11 -176.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.44 -1.45 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.8 p -103.99 -1.29 27.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.572 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -107.73 -18.04 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 59.3 mmm -80.52 139.14 36.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 54.2 p90 -103.02 176.72 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.2 mt-30 -96.87 135.33 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.0 m -36.92 -44.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.8 p -60.95 -52.57 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.522 ' N ' HG13 ' A' ' 99' ' ' VAL . 73.3 m-20 -41.12 -29.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.825 HD21 ' O ' ' A' ' 40' ' ' LEU . 16.7 tp -96.68 -63.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 6.6 t80 -46.96 -54.25 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.566 ' HB2' HG22 ' A' ' 99' ' ' VAL . 32.5 mm-40 -83.14 -17.57 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.95 27.92 73.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -59.29 -68.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.76 100.21 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.22 -46.2 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.32 -37.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 96' ' ' PHE . . . -67.92 -55.89 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . 78.0 t -40.58 -29.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 109' ' ' ALA . 77.6 mt-30 -84.3 -52.67 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -34.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.402 HG23 ' SD ' ' A' ' 95' ' ' MET . 27.7 m -67.72 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.414 ' CB ' ' HG ' ' A' ' 14' ' ' LEU . 17.0 mt -51.91 -45.45 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.692 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -47.19 -37.07 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.572 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -84.81 -48.94 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 88' ' ' TYR . 13.6 tp -45.82 -62.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.5 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.65 -61.01 6.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.51 -44.07 17.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.892 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.5 mt -52.27 -49.55 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.56 72.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -71.88 -46.75 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.9 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -81.74 53.17 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.699 ' HH2' HG11 ' A' ' 20' ' ' VAL . 10.8 m0 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.846 HD13 ' SD ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -47.56 -53.56 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' OE2' ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -66.04 -60.76 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 2.5 mt-10 -38.46 -48.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -53.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 18' ' ' ILE . 27.1 mt -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.756 HG13 ' CH2' ' A' ' 39' ' ' TRP . 61.1 t -59.93 -53.91 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.751 ' O ' HG13 ' A' ' 20' ' ' VAL . 13.7 mt-10 -46.31 -29.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.573 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 5.9 t90 -78.72 -65.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.6 mt -45.18 -25.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 15' ' ' VAL . 25.6 t -69.23 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.59 -39.93 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.573 ' NE2' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -60.3 -71.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 77.1 m -62.63 -48.45 79.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.26 179.25 20.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.9 3.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.77 -45.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.76 -24.57 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.25 -140.33 17.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.147 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -148.34 165.26 18.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.516 ' CD ' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.457 ' CD2' ' OE2' ' A' ' 11' ' ' GLU . 41.4 t80 -52.86 -51.06 62.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tt0 -47.4 -58.67 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 84.8 t -54.4 -43.05 61.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.756 ' CH2' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -49.91 -42.62 48.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.772 ' O ' HD11 ' A' ' 101' ' ' LEU . 55.4 mt -109.57 44.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 23.1 tttt -107.95 -58.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.1 -58.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.58 -38.77 2.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.639 HG22 ' OE1' ' A' ' 77' ' ' GLN . 48.3 t -42.29 -55.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mt -51.25 -61.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 29.1 mt -44.53 -52.04 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.8 m -57.47 -40.35 78.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.812 ' HG3' HG21 ' A' ' 63' ' ' VAL . 18.7 mttt -65.2 -34.78 79.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -74.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 51' ' ' ASN . 7.4 p -44.91 -48.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.469 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.6 m-80 -54.57 -55.22 31.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 p -46.96 -52.01 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 32.9 mt -53.66 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 10.7 m-85 -34.94 149.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 176.03 10.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.83 141.19 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -41.08 3.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.3 m -85.36 47.71 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -85.85 113.6 52.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.0 -61.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 81' ' ' PHE . 61.2 t -91.41 148.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 100.44 9.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.812 HG21 ' HG3' ' A' ' 48' ' ' LYS . 2.6 p -94.6 116.09 66.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.72 43.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.571 1.827 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.89 -58.16 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -77.51 133.6 67.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 149.72 37.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.1 Cg_endo -74.98 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.06 -58.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.4 mtt -46.14 148.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.8 t -58.52 -64.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -43.71 -42.28 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -63.52 -64.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -49.13 -52.74 24.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -50.92 56.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -57.05 -53.1 61.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.639 ' OE1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -38.84 -48.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.62 -55.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.53 -48.8 5.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HB3' HG13 ' A' ' 61' ' ' VAL . 72.9 mt-30 -50.95 -44.72 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.746 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -51.37 -60.91 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -54.78 -41.28 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.19 95.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -52.2 -49.51 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 89' ' ' GLY . 0.7 OUTLIER -47.98 -60.85 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -39.73 -50.77 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 6.0 t80 -41.84 -40.8 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . 149.22 -19.16 1.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.894 HG13 ' OD2' ' A' ' 94' ' ' ASP . 72.4 t -43.72 141.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.794 HD12 ' OG1' ' A' ' 93' ' ' THR . 31.3 pt -79.16 -168.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -10.56 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.794 ' OG1' HD12 ' A' ' 91' ' ' ILE . 33.0 p -93.45 -1.08 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.894 ' OD2' HG13 ' A' ' 90' ' ' VAL . 24.0 p-10 -112.43 -19.01 12.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.469 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 32.9 mmm -71.57 143.63 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.746 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 17.3 p90 -114.88 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.5 mt-30 -96.39 138.24 34.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' GLN . 53.4 m -38.42 -37.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 100' ' ' ASP . 6.0 p -66.67 -51.62 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.506 ' N ' HG13 ' A' ' 99' ' ' VAL . 92.5 m-20 -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 40' ' ' LEU . 19.7 tp -102.9 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 103' ' ' GLU . 23.9 t80 -41.05 -52.81 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 102' ' ' TYR . 40.8 mm-40 -107.61 28.2 8.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.67 33.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.456 ' CB ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -50.17 -26.12 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -170.01 101.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.413 ' HE3' ' HG3' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -73.97 -32.49 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.18 -47.6 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 111' ' ' GLN . . . -69.63 -51.45 34.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.571 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 78.5 t -39.5 -31.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.5 ' NE2' HD21 ' A' ' 10' ' ' LEU . 38.5 mt-30 -80.53 -54.35 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.15 -36.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -67.9 -63.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.92 -51.83 64.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.846 ' SD ' HD13 ' A' ' 10' ' ' LEU . 59.9 mmm -45.23 -30.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.49 -42.41 16.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 117' ' ' LEU . 14.3 tp -52.99 -60.53 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.17 -65.7 2.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -42.81 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -66.07 -32.21 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.913 HG13 ' CB ' ' A' ' 133' ' ' PRO . 38.9 t -72.61 -46.9 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.913 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -74.97 -33.13 4.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -21.15 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.596 ' HH2' HG11 ' A' ' 20' ' ' VAL . 20.2 m0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.038 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -63.45 -52.13 62.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -51.33 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -41.07 -48.85 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -62.34 -54.11 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 10' ' ' LEU . 25.2 mt -40.89 -53.84 2.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.83 HG13 ' CH2' ' A' ' 39' ' ' TRP . 57.7 t -61.34 -53.35 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.769 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.3 mm-40 -43.32 -28.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 22.0 t90 -79.91 -64.55 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 mt -42.72 -27.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 42.9 t -69.2 -50.87 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -66.09 -38.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.693 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.9 mm-40 -66.56 -71.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -60.63 -52.64 64.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 116.87 178.51 17.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.97 3.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.31 -51.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 45' ' ' ILE . 15.4 m -63.23 -32.58 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.94 -148.43 25.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.31 172.86 3.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.546 ' HD3' HG11 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLN . 30.3 t80 -47.29 -60.76 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG2' HD12 ' A' ' 101' ' ' LEU . 1.2 tm0? -37.86 -58.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.01 -50.16 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.83 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.7 t90 -46.12 -38.24 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.817 ' O ' HD11 ' A' ' 101' ' ' LEU . 68.7 mt -113.02 52.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -111.22 -58.97 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -40.05 -52.99 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.66 -28.62 11.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.05 -57.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.405 HG23 HG11 ' A' ' 26' ' ' VAL . 40.8 mt -53.13 -51.21 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.612 HD11 HD21 ' A' ' 101' ' ' LEU . 33.3 mt -55.3 -45.31 76.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.581 ' HB2' HG11 ' A' ' 61' ' ' VAL . 26.0 p -61.9 -35.14 77.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HE2' HG11 ' A' ' 63' ' ' VAL . 22.6 mttm -66.12 -49.12 68.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 21' ' ' GLN . 18.3 tp -51.98 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 51' ' ' ASN . 11.2 p -40.95 -50.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.0 m-80 -51.6 -54.15 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 p -43.2 -49.94 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' OE1' ' A' ' 21' ' ' GLN . 76.3 mt -56.55 -66.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 21.7 m-85 -47.0 151.08 1.19 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -169.11 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.77 -34.16 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.46 40.7 3.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.56 -71.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 40.0 84.01 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -54.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.581 HG11 ' HB2' ' A' ' 47' ' ' SER . 49.0 t -94.23 162.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.448 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -112.97 132.54 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.575 HG11 ' HE2' ' A' ' 48' ' ' LYS . 21.3 t -112.79 109.07 53.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 179.78 5.74 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.42 -56.35 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -111.91 152.53 44.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 141.04 26.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.01 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 p -131.15 -45.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.82 160.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.0 -64.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -38.29 -51.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -68.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -41.23 -56.91 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 mtp -53.41 -52.74 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -53.62 30.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -40.15 -58.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.37 -57.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.71 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' HB3' HG22 ' A' ' 61' ' ' VAL . 61.4 mt-30 -49.44 -48.99 47.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -44.96 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.511 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.3 mt -49.07 -62.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -45.7 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.95 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -46.25 -51.9 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -56.22 21.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -41.8 -43.86 3.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.608 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 2.7 t80 -51.21 -52.42 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.868 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 144.84 42.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.1 t -103.42 137.63 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.42 ' CG1' ' OD2' ' A' ' 94' ' ' ASP . 6.5 pt -69.56 167.77 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -86.09 -1.01 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.61 -9.72 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' ' CG1' ' A' ' 91' ' ' ILE . 37.2 m-20 -102.19 -20.41 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 35.2 mmm -74.79 155.08 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 24.4 p90 -126.63 175.45 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.8 mt-30 -91.2 132.08 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -38.59 -37.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.565 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.8 p -69.2 -51.85 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.499 ' N ' HG13 ' A' ' 99' ' ' VAL . 85.1 m-20 -39.85 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 40' ' ' LEU . 23.1 tp -99.51 -64.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.29 -48.53 6.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.565 ' HB2' HG22 ' A' ' 99' ' ' VAL . 27.8 mm-40 -87.6 -33.76 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.76 18.46 47.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -52.77 -58.65 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -120.62 97.87 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 107' ' ' MET . 1.1 tpp -79.26 -42.02 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.51 -37.33 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -68.57 -52.54 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.622 HG11 HD13 ' A' ' 101' ' ' LEU . 84.3 t -39.43 -33.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -75.06 -52.21 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -40.7 -34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.2 m -67.99 -69.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.02 -47.81 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.468 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -43.56 -40.16 3.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.068 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.1 -46.99 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.5 tp -51.53 -55.94 16.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.561 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -45.72 -69.77 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -45.74 -43.32 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.744 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.868 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.1 mt -55.97 -44.93 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.37 70.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 133' ' ' PRO . 64.2 t -63.33 -38.23 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.442 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.442 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.91 -44.96 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -49.17 -34.86 15.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.737 ' HH2' HG11 ' A' ' 20' ' ' VAL . 36.5 m0 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.929 HD21 ' HG2' ' A' ' 115' ' ' MET . 0.4 OUTLIER -41.53 -70.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.94 -54.34 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.63 -51.27 12.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -58.13 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -40.42 -54.89 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 69.4 t -67.01 -63.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.764 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mt-10 -38.45 -33.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.488 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 24.4 t90 -76.93 -67.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.061 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.788 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.9 mt -41.4 -28.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 17' ' ' TRP . 29.4 t -65.98 -53.84 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.46 -35.9 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.602 ' HB3' HD12 ' A' ' 49' ' ' LEU . 3.1 mm-40 -68.8 -65.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.96 -53.51 54.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 114.06 173.83 18.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 54.41 3.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.99 -45.64 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.3 -27.9 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.44 -150.44 20.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -137.53 157.78 73.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -40.08 -57.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -43.27 -58.67 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.8 -47.27 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.43 ' CZ3' HG22 ' A' ' 15' ' ' VAL . 4.8 t90 -44.67 -39.92 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.8 ' O ' HD11 ' A' ' 101' ' ' LEU . 20.7 mt -112.87 50.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASN . 69.8 tttt -108.02 -66.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.423 ' ND2' HE22 ' A' ' 74' ' ' GLN . 1.9 m120 -39.85 -56.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 112.21 -19.5 22.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.792 HG13 ' CG2' ' A' ' 63' ' ' VAL . 53.8 t -51.83 -51.98 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.84 -56.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.512 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 19.7 mt -47.05 -49.51 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -58.77 -36.79 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG3' HG21 ' A' ' 63' ' ' VAL . 24.5 mttm -66.22 -30.47 70.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 21' ' ' GLN . 18.4 tp -62.99 -72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.692 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.1 p -46.7 -40.82 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -56.94 -58.77 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 49' ' ' LEU . 54.1 p -52.45 -40.09 61.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 50' ' ' VAL . 76.2 mt -55.51 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 14.6 m-85 -36.07 151.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.44 39.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -47.99 155.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.62 -45.62 3.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' LYS . 18.6 t -57.92 -68.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 40.03 85.18 0.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -53.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.4 t -90.78 155.63 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -120.39 98.33 6.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.792 ' CG2' HG13 ' A' ' 44' ' ' VAL . 6.7 p -99.48 113.85 65.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.59 23.32 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.9 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -76.94 132.22 71.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 138.58 23.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.97 -174.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.69 -152.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 74' ' ' GLN . 9.8 mtt 54.83 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.494 HG13 ' HE2' ' A' ' 102' ' ' TYR . 95.0 t -82.35 -65.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -42.16 -45.5 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -68.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' MET . 11.3 mm-40 -42.29 -54.95 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.457 ' SD ' HG22 ' A' ' 98' ' ' THR . 24.9 mmm -46.61 -49.05 19.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.52 -50.51 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -40.8 -60.93 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.495 HG22 ' CA ' ' A' ' 43' ' ' GLY . 98.3 t -61.14 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.46 -46.58 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -53.03 -45.56 68.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 3.7 t80 -70.68 -44.58 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.5 mt -49.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -44.54 -40.77 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.87 -42.63 99.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -49.71 -52.65 29.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -48.68 61.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -48.23 -42.4 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 2.6 t80 -54.17 -48.68 70.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.846 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 140.3 44.48 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 91' ' ' ILE . 40.5 t -104.1 129.42 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.481 HD11 ' OD1' ' A' ' 94' ' ' ASP . 9.3 pt -53.39 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 17.3 tttt -103.49 -16.22 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.6 p -89.98 -1.88 58.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.648 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 1.2 m-20 -104.52 -23.32 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 44.2 mmm -74.95 137.77 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 51.8 p90 -111.08 -179.13 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' THR . 1.7 mt-30 -96.1 135.63 37.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.457 HG22 ' SD ' ' A' ' 75' ' ' MET . 42.2 m -37.68 -48.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.5 p -56.91 -52.82 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.521 ' N ' HG13 ' A' ' 99' ' ' VAL . 18.2 m-20 -39.14 -31.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.8 HD11 ' O ' ' A' ' 40' ' ' LEU . 18.9 tp -99.36 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.494 ' HE2' HG13 ' A' ' 71' ' ' VAL . 3.8 t80 -45.57 -58.17 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 99' ' ' VAL . 46.4 mm-40 -93.75 17.78 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 36.27 41.14 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.42 -33.3 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 100.45 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.38 -39.17 21.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.81 -32.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -82.22 -49.83 9.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.575 HG11 HD13 ' A' ' 101' ' ' LEU . 75.4 t -41.78 -29.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 109' ' ' ALA . 91.2 mt-30 -78.1 -51.65 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -32.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -70.23 -55.9 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.548 HD13 ' HG ' ' A' ' 14' ' ' LEU . 17.4 mt -58.84 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.929 ' HG2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -43.45 -27.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.648 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -93.58 -43.27 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' A' ' 117' ' ' LEU . 12.2 tp -55.14 -58.52 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.488 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.8 -63.46 4.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -47.85 -38.18 15.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.846 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.8 mt -59.21 -43.3 92.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 133' ' ' PRO . 46.1 t -65.86 -46.93 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.559 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 33.8 m-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.466 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.05 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.41 54.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.7 ' HH2' HG11 ' A' ' 20' ' ' VAL . 10.9 m0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.029 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -46.29 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.62 -56.74 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -54.42 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 10' ' ' LEU . 66.1 mt -41.85 -57.07 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 19' ' ' VAL . 88.2 t -59.21 -51.1 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.8 mm-40 -51.66 -25.56 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.552 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.3 t90 -82.36 -57.91 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -49.16 -23.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 15' ' ' VAL . 34.8 t -72.29 -54.31 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.3 m -65.95 -39.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.552 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -59.99 -71.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 m -63.49 -54.23 39.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.96 174.76 16.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.428 1.08 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 54.62 3.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.54 -44.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.32 -29.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.63 -151.2 20.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -132.17 160.48 67.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.215 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -39.08 -54.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.749 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 102' ' ' TYR . 1.7 tm0? -50.69 -49.31 57.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.56 -49.04 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.466 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 13.6 t90 -49.45 -30.17 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 107.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.821 ' O ' HD21 ' A' ' 101' ' ' LEU . 28.9 mt -114.55 37.12 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -104.55 -53.07 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.643 ' OD1' HG23 ' A' ' 44' ' ' VAL . 27.5 t-20 -45.43 -54.07 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.86 -25.52 26.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.643 HG23 ' OD1' ' A' ' 42' ' ' ASN . 4.7 t -49.74 -50.31 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.62 -47.41 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 81' ' ' PHE . 18.1 mt -53.17 -46.43 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.4 m -61.21 -40.29 93.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -63.93 -38.85 92.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 21' ' ' GLN . 14.0 tp -57.45 -73.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 51' ' ' ASN . 9.8 p -42.97 -47.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.425 ' N ' HG13 ' A' ' 50' ' ' VAL . 9.2 m-80 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 p -43.86 -45.87 7.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD13 ' OH ' ' A' ' 88' ' ' TYR . 93.1 mt -59.09 -85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 44.3 m-85 -36.27 153.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.44 -59.26 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.27 52.82 3.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -175.79 37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.31 114.15 42.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -61.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 81' ' ' PHE . 61.2 t -88.63 161.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 61' ' ' VAL . 2.0 mppt? -126.2 101.47 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 63' ' ' VAL . 2.4 p -89.23 114.73 61.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.28 -49.87 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -81.93 125.99 76.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 139.4 24.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -75.0 -165.66 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.58 -65.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -38.58 122.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.719 HG13 ' H ' ' A' ' 72' ' ' PHE . 1.2 p -42.23 -69.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.719 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m-30 -47.3 -23.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.1 mmtt -85.58 -57.26 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' MET . 30.2 mt-30 -56.53 -45.36 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.517 ' CE ' ' CG ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -43.95 -43.31 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 110.977 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.59 -45.9 81.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -53.53 -57.59 10.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.5 t -58.21 -48.92 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.46 -51.44 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -50.22 -43.22 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' HA ' HG21 ' A' ' 61' ' ' VAL . 1.7 t80 -72.78 -43.51 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.916 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 41.0 mt -52.29 -63.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.05 70.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.95 92.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.2 -34.04 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -59.12 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.47 -45.51 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 4.7 t80 -45.33 -39.68 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.46 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 147.53 -18.1 1.48 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.708 HG13 ' OD2' ' A' ' 94' ' ' ASP . 72.1 t -44.46 144.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.612 HD12 ' OG1' ' A' ' 93' ' ' THR . 34.9 pt -87.07 -169.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.11 1.5 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.612 ' OG1' HD12 ' A' ' 91' ' ' ILE . 1.5 p -105.27 -3.11 23.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.708 ' OD2' HG13 ' A' ' 90' ' ' VAL . 12.9 p30 -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 29.2 mmm -71.0 153.68 42.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.916 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 7.2 p90 -120.02 177.93 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.6 mt-30 -100.26 137.34 38.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.9 m -43.37 -33.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 1.2 m -72.27 -44.06 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 83.8 m-20 -49.52 -23.59 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 40' ' ' LEU . 14.2 tp -105.73 -60.02 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 71' ' ' VAL . 30.7 t80 -55.01 -58.05 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.06 -1.54 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 51.28 41.53 47.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -70.96 -39.12 72.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 110' ' ' VAL . 37.5 t0 -141.79 119.47 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -94.27 -38.78 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.92 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -60.19 -56.38 22.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 106' ' ' ASP . 68.0 t -40.42 -37.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -72.12 -50.11 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.41 ' CD ' ' HA ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.41 -30.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' ALA . 96.2 m -69.67 -69.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.17 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -35.48 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' THR . . . -76.91 -55.06 5.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 88' ' ' TYR . 16.9 tp -45.72 -64.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -46.24 -60.12 4.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -52.29 -42.89 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.4 mt -62.03 -40.43 95.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.411 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -73.13 -30.32 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 118' ' ' GLY . 40.4 t -68.78 -47.75 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.463 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 4.3 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.65 12.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -88.26 44.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.581 ' HH2' HG11 ' A' ' 20' ' ' VAL . 14.6 m0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.055 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.507 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -55.1 -47.77 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 1.9 tt0 -44.74 -51.4 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -40.12 -44.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -51.51 63.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 18' ' ' ILE . 47.4 mt -43.22 -56.56 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 19' ' ' VAL . 43.8 t -58.65 -48.91 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.0 mm-40 -47.79 -25.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.471 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.0 t90 -85.05 -61.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 mt -48.46 -23.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 15' ' ' VAL . 41.4 t -69.1 -54.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.89 -38.2 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.471 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -62.62 -70.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -64.85 -53.41 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.246 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.99 179.36 17.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.03 3.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -125.63 -44.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 m -70.72 -32.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 -143.8 16.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.583 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -139.57 141.27 27.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -38.07 -55.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -42.29 -59.48 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.1 t -58.11 -45.84 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.612 ' CH2' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -47.24 -37.18 10.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.789 ' O ' HD11 ' A' ' 101' ' ' LEU . 30.4 mt -114.17 44.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 61.9 tttt -109.17 -54.19 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 5.2 m-20 -44.56 -48.51 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.93 -31.55 8.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -49.16 -49.16 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.48 -52.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.99 -52.44 65.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.436 ' OG ' HG11 ' A' ' 61' ' ' VAL . 71.0 m -55.34 -39.53 70.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HE2' HG11 ' A' ' 63' ' ' VAL . 26.2 mttm -60.93 -40.04 91.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' SER . 14.5 tp -58.39 -73.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.0 p -39.86 -48.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' HG13 ' A' ' 50' ' ' VAL . 15.1 m-80 -57.84 -47.99 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 p -48.14 -47.0 35.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' TYR . 86.7 mt -57.08 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 52.0 m-85 -36.54 155.07 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.0 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.78 -58.77 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.42 53.15 3.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -176.36 41.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -80.38 113.96 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.98 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.436 HG11 ' OG ' ' A' ' 47' ' ' SER . 60.3 t -87.33 160.72 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.7 ttpt -113.76 130.67 56.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.608 HG11 ' HE2' ' A' ' 48' ' ' LYS . 11.8 t -110.44 110.28 57.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -75.06 0.67 8.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 64' ' ' PRO . 5.3 tt0 83.63 -56.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -89.77 132.39 36.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 144.92 30.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.05 -172.1 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 t -128.56 -46.47 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -51.54 169.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.507 HG13 ' OH ' ' A' ' 102' ' ' TYR . 70.6 t -85.87 -58.05 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -41.97 -44.45 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -62.7 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' HA ' ' A' ' 42' ' ' ASN . 28.3 mm-40 -40.03 -58.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -47.78 56.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.44 -49.31 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.39 -63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.92 -48.98 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.19 55.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -53.37 -44.13 68.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -73.38 -43.13 61.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.732 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 45.1 mt -51.56 -59.71 3.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -54.83 -39.52 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.17 -37.28 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.64 -46.28 83.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.87 -40.45 56.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.471 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 2.7 t80 -53.41 -54.35 38.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.834 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 146.92 43.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 120' ' ' LEU . 69.1 t -106.12 137.48 36.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.633 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.4 pt -73.14 167.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 2.98 43.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.633 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -99.63 -15.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.606 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.6 OUTLIER -100.71 -18.11 16.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 52.6 mmm -78.92 150.05 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.732 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 34.4 p90 -117.58 -172.38 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.042 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.7 mt-30 -103.45 134.47 46.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.5 m -38.14 -37.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 103' ' ' GLU . 8.4 p -65.81 -52.33 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.511 ' N ' HG13 ' A' ' 99' ' ' VAL . 62.3 m-20 -40.46 -29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.789 HD11 ' O ' ' A' ' 40' ' ' LEU . 13.1 tp -99.77 -63.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.507 ' OH ' HG13 ' A' ' 71' ' ' VAL . 35.7 t80 -43.9 -50.64 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 99' ' ' VAL . 54.1 mm-40 -90.1 -18.0 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.32 25.13 76.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.9 -56.44 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 110' ' ' VAL . 5.6 m-20 -121.02 107.16 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -47.05 13.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.96 -31.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.11 -53.86 8.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 92.4 t -42.98 -37.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.413 ' OE1' HD12 ' A' ' 14' ' ' LEU . 15.1 mt-30 -78.95 -46.78 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -28.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -74.97 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.95 -49.57 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.507 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.84 -33.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.606 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -86.99 -50.79 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.0 tp -45.7 -60.69 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -49.58 -67.66 1.69 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.59 -40.63 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.834 HD11 ' O ' ' A' ' 89' ' ' GLY . 4.3 mt -59.79 -46.39 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -68.12 -29.66 68.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 133' ' ' PRO . 64.1 t -68.72 -42.7 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.462 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.97 -22.49 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -86.07 48.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.589 ' HH2' HG11 ' A' ' 20' ' ' VAL . 24.1 m0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 107.992 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.343 -0.244 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.65 -64.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.35 -53.59 1.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.1 -59.49 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.36 -51.96 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 mt -41.47 -55.98 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.684 HG13 ' CH2' ' A' ' 39' ' ' TRP . 89.9 t -59.44 -53.24 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.671 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.7 mt-10 -45.54 -26.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.499 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 23.6 t90 -83.02 -56.87 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.5 mt -49.41 -24.4 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' GLY . 27.0 t -71.37 -54.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -67.91 -38.33 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.6 ' HB3' HD12 ' A' ' 49' ' ' LEU . 9.1 mm-40 -62.99 -69.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -65.29 -54.39 29.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 108.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.22 176.07 18.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.07 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.33 -46.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.42 -30.23 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.53 -142.29 16.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.455 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -135.78 170.39 11.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -43.13 77.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.95 -37.45 74.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.4 t -81.81 -30.19 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.684 ' CH2' HG13 ' A' ' 15' ' ' VAL . 5.9 t90 -62.45 -37.89 87.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.833 ' O ' HD11 ' A' ' 101' ' ' LEU . 30.0 mt -108.4 33.39 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -95.38 -57.98 2.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -42.34 -50.04 5.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.13 -26.75 23.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 67' ' ' PRO . 53.3 t -48.79 -46.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 mt -63.94 -42.52 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.535 HD22 ' CE2' ' A' ' 81' ' ' PHE . 27.0 mt -60.84 -45.21 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.642 ' HB2' HG11 ' A' ' 61' ' ' VAL . 43.7 p -65.18 -39.22 92.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HE2' HG11 ' A' ' 63' ' ' VAL . 17.2 mttm -64.25 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 21' ' ' GLN . 35.1 tp -54.22 -73.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -45.62 -37.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -56.54 20.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -46.17 16.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.6 mt -53.72 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 17.1 m-85 -35.59 150.44 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 158.73 42.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.35 152.82 6.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.83 -44.67 3.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -55.71 -75.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 42.85 90.69 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.5 Cg_endo -74.96 -46.76 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.642 HG11 ' HB2' ' A' ' 47' ' ' SER . 48.5 t -87.65 164.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -118.07 115.87 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.594 HG11 ' HE2' ' A' ' 48' ' ' LYS . 6.5 t -99.38 109.14 53.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 154.1 42.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.42 -62.09 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -100.85 139.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.901 ' HB3' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.03 148.39 35.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.94 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -155.67 -51.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.508 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 3.0 mtt -45.88 137.52 5.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.735 HG13 ' H ' ' A' ' 72' ' ' PHE . 1.3 p -45.6 -69.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.735 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.1 m-85 -51.89 -20.48 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 5.1 mmtp -82.7 -68.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' MET . 14.7 mm-40 -53.56 -44.08 68.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.425 ' HE1' HG12 ' A' ' 99' ' ' VAL . 15.1 mtp -48.94 -43.88 40.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -46.12 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -46.54 -47.04 19.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG12 ' HG ' ' A' ' 82' ' ' LEU . 60.3 t -72.77 -43.84 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.97 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' VAL . 67.7 mt-30 -54.4 -44.36 72.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CE2' HD22 ' A' ' 46' ' ' LEU . 7.9 t80 -72.98 -42.07 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.778 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 42.1 mt -53.2 -56.14 18.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -59.57 -40.29 86.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.91 99.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.39 80.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -58.92 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -44.75 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -44.95 -38.79 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.68 -17.12 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.498 HG13 ' OD2' ' A' ' 94' ' ' ASP . 99.4 t -46.98 153.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.796 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.623 HD12 ' OG1' ' A' ' 93' ' ' THR . 18.5 pt -99.31 -171.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.8 7.42 39.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.623 ' OG1' HD12 ' A' ' 91' ' ' ILE . 2.2 p -108.1 -9.08 15.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.498 ' OD2' HG13 ' A' ' 90' ' ' VAL . 9.0 p30 -112.25 -10.5 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 59.5 mmm -82.42 162.63 22.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.778 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.6 p90 -127.03 -177.51 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.7 mt-30 -103.21 134.2 47.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -41.89 -35.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.7 m -68.12 -47.41 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.445 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 69.0 m-20 -48.86 -25.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.833 HD11 ' O ' ' A' ' 40' ' ' LEU . 12.2 tp -101.18 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.599 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 5.0 t80 -51.52 -56.05 15.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.64 -5.55 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.46 44.53 85.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -68.96 -72.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.5 OUTLIER -115.51 111.92 21.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.0 mmm -83.26 -28.43 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.83 -42.75 80.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -70.81 -52.68 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.58 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 53.8 t -41.83 -30.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 109' ' ' ALA . 72.6 mt-30 -81.45 -51.5 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.65 -31.77 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.5 m -68.22 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.8 mt -42.66 -50.05 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -41.47 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.35 -59.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.9 tp -40.16 -55.99 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.65 -67.16 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -48.01 -41.52 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 0.799 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 90' ' ' VAL . 2.3 mt -58.44 -32.24 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.35 -30.66 30.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.07 -50.37 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.522 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 13.6 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -32.36 5.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -83.21 51.87 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.661 ' HH2' HG11 ' A' ' 20' ' ' VAL . 15.5 m0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.61 -66.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -38.66 -56.8 1.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.0 -48.55 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -67.21 -57.64 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' ARG . 61.1 mt -40.06 -56.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.9 t -58.07 -50.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.643 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mm-40 -49.46 -25.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.55 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 20.7 t90 -86.59 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.98 -24.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 15' ' ' VAL . 43.1 t -69.72 -54.07 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.74 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -67.52 -38.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.624 ' OE1' HD21 ' A' ' 53' ' ' LEU . 5.4 mm-40 -59.03 -70.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -66.73 -53.04 37.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.71 179.6 16.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.47 3.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.13 -44.84 2.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.0 m -69.68 -33.09 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 -144.92 17.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -140.72 141.55 25.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 37.4 t80 -39.56 -52.52 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -45.64 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.431 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.6 t -55.85 -44.9 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CH2' HG13 ' A' ' 15' ' ' VAL . 6.4 t90 -44.57 -42.07 7.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.82 ' O ' HD11 ' A' ' 101' ' ' LEU . 29.6 mt -111.37 47.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 18.9 tttt -110.35 -56.31 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -43.42 -51.09 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.23 -27.59 17.85 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.585 HG13 HG23 ' A' ' 63' ' ' VAL . 55.3 t -50.44 -40.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -68.94 -56.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 81' ' ' PHE . 33.1 mt -50.58 -44.7 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.51 ' OG ' HG11 ' A' ' 61' ' ' VAL . 46.0 m -63.4 -35.39 80.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HG3' HG21 ' A' ' 63' ' ' VAL . 14.1 mttm -67.73 -41.43 83.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 21' ' ' GLN . 24.8 tp -55.35 -73.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 54' ' ' TYR . 8.7 p -41.55 -48.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 50' ' ' VAL . 1.7 m-80 -48.39 -60.45 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.92 -52.55 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.624 HD21 ' OE1' ' A' ' 21' ' ' GLN . 43.8 mt -53.02 -79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 29.9 m-85 -36.53 152.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.65 -34.24 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 41.25 3.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.56 -72.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.41 88.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.94 -59.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.589 HG13 ' HB3' ' A' ' 80' ' ' GLN . 49.1 t -86.97 165.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.495 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -127.05 102.45 6.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.585 HG23 HG13 ' A' ' 44' ' ' VAL . 2.1 p -100.5 115.74 65.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -101.82 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.94 36.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.4 Cg_endo -75.01 -57.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER 84.73 -48.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 126.61 28.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.631 HG22 ' OH ' ' A' ' 102' ' ' TYR . 51.0 t -41.87 -67.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -43.07 -47.96 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -61.83 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -43.23 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.61 -43.87 36.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' GLN . 34.3 mt-10 -63.61 -52.6 60.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' GLU . 2.1 tp60 -39.01 -48.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.99 -52.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -41.63 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.589 ' HB3' HG13 ' A' ' 61' ' ' VAL . 75.4 mt-30 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.615 ' CE2' HD22 ' A' ' 46' ' ' LEU . 4.7 t80 -68.6 -43.43 76.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 36.5 mt -51.03 -71.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -44.66 -40.46 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.93 -42.82 99.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.635 ' HB3' ' HE1' ' A' ' 95' ' ' MET . . . -53.85 -38.94 65.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -47.66 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -48.71 -44.48 38.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.5 -55.21 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.847 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 150.57 42.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.546 HG22 HD12 ' A' ' 120' ' ' LEU . 79.4 t -106.13 136.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.56 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.4 pt -70.51 169.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -86.53 2.67 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.56 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -101.74 -11.57 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -100.76 -21.41 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.635 ' HE1' ' HB3' ' A' ' 85' ' ' ALA . 40.2 mmm -77.15 137.54 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 7.9 p90 -105.67 178.81 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.6 mt-30 -93.58 135.92 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.2 m -37.07 -48.2 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.4 p -55.84 -52.49 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.523 ' N ' HG13 ' A' ' 99' ' ' VAL . 54.0 m-20 -39.55 -30.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.82 HD11 ' O ' ' A' ' 40' ' ' LEU . 16.4 tp -101.01 -64.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.631 ' OH ' HG22 ' A' ' 71' ' ' VAL . 20.7 t80 -42.92 -51.63 5.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HB2' HG22 ' A' ' 99' ' ' VAL . 5.6 mm-40 -104.77 23.89 12.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.06 31.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -51.43 -37.02 46.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.879 ' O ' HG23 ' A' ' 110' ' ' VAL . 52.9 m-20 -147.33 109.37 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.42 -32.43 29.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.12 75.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -63.16 -51.28 67.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 106' ' ' ASP . 87.3 t -39.25 -30.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 109' ' ' ALA . 65.5 mt-30 -84.1 -53.47 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.85 -34.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -68.32 -69.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.52 -47.78 38.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -39.07 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -78.27 -56.28 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.3 tp -42.37 -57.38 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.21 -66.06 2.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -38.89 17.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.8 mt -59.82 -43.07 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.54 -28.96 63.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 118' ' ' GLY . 86.2 t -74.03 -48.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -33.17 4.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -31.21 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.74 ' HH2' HG11 ' A' ' 20' ' ' VAL . 32.9 m0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.727 HD21 ' CG ' ' A' ' 115' ' ' MET . 0.5 OUTLIER -43.43 -52.64 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.54 -49.36 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' GLU . 2.9 mm-40 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -54.95 -45.97 74.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 18' ' ' ILE . 3.3 mp -51.03 -62.07 1.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.601 HG11 ' HD2' ' A' ' 29' ' ' PRO . 46.4 t -62.83 -62.25 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.709 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.9 mt-10 -40.17 -34.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.43 ' NE1' ' HG3' ' A' ' 21' ' ' GLN . 19.5 t90 -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 107.99 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.2 mt -50.83 -22.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 15' ' ' VAL . 40.8 t -70.13 -51.99 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -69.36 -38.93 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG3' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -61.69 -69.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -65.92 -49.23 68.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 112.52 -178.2 18.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.58 3.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.92 -47.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 26' ' ' VAL . 4.5 m -67.34 -33.45 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.44 -138.62 14.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -144.82 141.97 18.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 0.734 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.601 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 45.2 t80 -41.56 -52.74 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -61.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 96.4 t -57.38 -47.37 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 8.5 t90 -49.05 -37.44 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' HD21 ' A' ' 101' ' ' LEU . 56.6 mt -112.53 41.26 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 14.7 tttm -105.24 -55.47 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -40.87 -46.77 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.8 9.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.553 HG13 HG13 ' A' ' 63' ' ' VAL . 54.6 t -50.04 -54.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mt -49.84 -50.89 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD11 HD21 ' A' ' 101' ' ' LEU . 50.7 mt -57.41 -49.16 77.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.501 ' HB3' HG11 ' A' ' 61' ' ' VAL . 63.3 m -57.42 -37.35 72.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.777 ' HE2' HG11 ' A' ' 63' ' ' VAL . 31.1 mttm -68.25 -36.66 79.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.51 -74.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.54 -44.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 3.0 m-80 -51.15 -59.67 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.7 OUTLIER -39.09 -51.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' TYR . 31.0 mt -54.13 -79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 25.7 m-85 -35.97 149.61 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -172.22 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -78.55 -33.98 47.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.94 41.58 3.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.088 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.66 -73.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 41.23 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.95 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -86.14 166.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -127.97 102.07 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.777 HG11 ' HE2' ' A' ' 48' ' ' LYS . 62.6 t -83.73 117.25 68.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -45.68 -64.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -118.15 164.8 18.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.04 150.22 37.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.98 -176.96 3.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.69 -48.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mtt -49.97 153.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.76 -60.18 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -47.95 -37.11 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.7 -68.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -45.62 -49.53 14.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.18 -52.61 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.38 -44.91 89.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -44.09 -42.23 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.75 -53.39 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.29 6.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -72.06 -43.26 65.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.817 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 38.2 mt -53.39 -58.2 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -52.54 -44.23 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' CE ' ' A' ' 95' ' ' MET . . . -52.62 -47.2 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -50.38 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -40.53 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.17 -55.39 21.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.836 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 150.18 43.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.632 HG22 HD12 ' A' ' 120' ' ' LEU . 92.7 t -108.46 129.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.469 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.9 pt -61.75 174.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -12.34 47.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.469 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -89.62 -12.86 38.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -98.42 -21.12 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 35.4 mmm -81.14 147.49 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.817 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 11.9 p90 -108.75 -176.91 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mt-30 -96.17 139.4 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 m -47.01 -23.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -87.49 -37.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' GLN . 80.1 m-20 -50.04 -23.02 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.813 HD21 ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -106.75 -63.43 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 28.5 t80 -49.99 -52.57 32.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' LYS . 14.1 mm-40 -90.66 12.6 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.56 30.59 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' GLU . 12.0 mttt -57.12 -45.39 83.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -141.49 107.87 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 38.0 mmm -82.58 -36.71 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.63 11.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -76.71 -53.2 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.552 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 95.2 t -41.28 -30.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 109' ' ' ALA . 89.0 mt-30 -81.26 -51.79 8.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -33.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.2 m -68.59 -64.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.613 HD13 ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt -46.96 -50.77 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.727 ' CG ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.48 -37.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.71 -57.28 3.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.9 tp -43.46 -49.57 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.58 -69.67 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.0 -36.0 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.836 HD11 ' O ' ' A' ' 89' ' ' GLY . 6.0 mt -66.0 -51.63 56.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.74 -17.25 55.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.6 t -83.04 -45.87 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.421 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.13 8.51 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -84.31 50.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.624 ' HH2' HG11 ' A' ' 20' ' ' VAL . 14.9 m0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.982 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t 61.86 158.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -87.24 127.26 35.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.38 66.18 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.89 159.82 30.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -104.1 82.24 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.62 -97.25 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 54.87 172.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.01 -56.4 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.522 HD11 ' HE3' ' A' ' 115' ' ' MET . 0.4 OUTLIER -40.34 -62.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.22 -56.44 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -44.4 -56.1 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -60.45 -52.15 66.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.635 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 20.6 mt -40.66 -54.51 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.699 HG13 ' CH2' ' A' ' 39' ' ' TRP . 74.9 t -60.84 -50.62 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.675 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.6 mt-10 -46.67 -25.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.587 ' CD1' ' CE1' ' A' ' 129' ' ' TYR . 19.3 t90 -84.36 -56.33 3.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 108.023 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.3 mt -52.7 -20.85 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 15' ' ' VAL . 37.2 t -73.36 -53.68 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.749 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -66.04 -38.88 83.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -63.68 -71.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.3 m -62.01 -54.14 45.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 113.82 177.13 19.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.07 3.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.446 1.761 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.86 -45.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.16 -27.11 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.01 -151.54 26.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -136.84 174.14 4.77 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 0.74 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 128.43 11.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.82 141.22 55.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 174.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.55 152.35 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.448 1.093 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.17 -171.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mt -41.98 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.65 -56.7 3.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' TRP . 40.8 t80 -73.98 -61.57 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.773 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -46.29 -42.14 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 110.245 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.1 t -69.5 -34.98 64.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.699 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.6 t90 -59.51 -43.69 93.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.023 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.797 ' O ' HD21 ' A' ' 101' ' ' LEU . 48.1 mt -103.77 42.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 13.0 tttt -104.38 -60.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.743 ' OD1' HG23 ' A' ' 44' ' ' VAL . 22.2 t-20 -42.06 -55.78 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.51 -32.46 6.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.743 HG23 ' OD1' ' A' ' 42' ' ' ASN . 36.9 t -43.92 -48.37 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.25 -41.92 94.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 81' ' ' PHE . 26.3 mt -62.33 -51.81 66.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.47 ' HB3' HG11 ' A' ' 61' ' ' VAL . 46.3 m -58.19 -33.23 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HE2' HG11 ' A' ' 63' ' ' VAL . 22.2 mttm -68.26 -38.71 82.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.56 -70.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 51' ' ' ASN . 9.2 p -41.24 -49.31 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.453 ' N ' HG13 ' A' ' 50' ' ' VAL . 6.4 m-80 -56.37 -51.99 66.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 p -40.62 -38.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 54' ' ' TYR . 9.6 mt -75.16 -72.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 13.2 m-85 -35.13 150.76 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.6 5.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -32.06 53.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.23 38.08 3.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.522 1.139 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -145.5 -72.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 42.07 90.44 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.552 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.99 -51.46 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.546 1.813 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' N ' ' A' ' 62' ' ' LYS . 48.4 t -90.47 168.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.541 ' N ' HG12 ' A' ' 61' ' ' VAL . 25.9 mttt -127.97 107.68 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.498 HG11 ' HE2' ' A' ' 48' ' ' LYS . 76.5 t -97.33 118.44 64.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 177.32 8.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.802 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.98 -58.5 5.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -101.61 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.96 145.22 31.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.99 -174.08 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.11 -46.88 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 mtt -43.28 158.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 73.4 t -72.39 -64.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -40.0 -42.91 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -67.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -44.58 -51.49 8.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -47.91 71.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -64.21 -49.38 72.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -41.72 -43.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' PHE . 97.1 t -68.94 -54.01 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.0 -45.55 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -52.63 -41.6 63.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.7 t80 -76.95 -44.47 31.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.613 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 mt -51.95 -57.52 9.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -57.63 -41.05 80.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.77 96.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.48 -56.88 14.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -43.96 -52.17 7.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.35 -54.46 5.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.45 ' CD2' HD12 ' A' ' 117' ' ' LEU . 4.9 t80 -40.32 -40.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.82 -17.63 1.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.486 HG13 ' OD2' ' A' ' 94' ' ' ASP . 96.5 t -43.52 151.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.556 HD12 ' HB ' ' A' ' 93' ' ' THR . 25.7 pt -96.95 -170.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -102.69 2.03 35.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.556 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.73 -6.57 23.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.415 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' HG13 ' A' ' 90' ' ' VAL . 7.2 p30 -115.92 -7.96 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 68.8 mmm -88.49 140.18 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 16.0 p90 -107.09 -176.14 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mm-40 -101.03 137.54 39.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' GLN . 86.6 m -37.82 -41.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.9 p -65.15 -52.37 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 99' ' ' VAL . 88.0 m-20 -39.68 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.797 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -99.26 -61.15 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.525 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 11.6 t80 -45.8 -56.48 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 26.2 mt-10 -100.18 23.91 9.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.61 29.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -47.77 -36.8 12.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.51 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.1 m-20 -152.07 112.86 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 40.0 mmm -86.21 -32.28 21.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.06 -30.72 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -79.22 -51.18 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.542 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 74.0 t -40.04 -30.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 70.3 mt-30 -80.8 -53.99 6.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -36.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.4 m -66.37 -68.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.454 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.0 mt -50.48 -46.53 57.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.522 ' HE3' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.16 -34.59 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.87 -53.63 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -44.93 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -40.69 -64.64 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 t -46.07 -48.33 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.34 -43.23 71.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.72 -37.57 73.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 118' ' ' GLY . 79.3 t -62.66 -33.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.0 m -70.61 -46.86 62.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -73.45 -77.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 54.12 98.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -153.58 27.82 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.406 ' C ' ' ND2' ' A' ' 128' ' ' ASN . . . 104.54 62.9 0.66 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.406 ' ND2' ' C ' ' A' ' 127' ' ' GLY . 2.9 m-80 -147.88 -48.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.587 ' CE1' ' CD1' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -76.09 119.15 19.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.2 mmt-85 -97.18 39.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.57 ' HA3' ' CH2' ' A' ' 135' ' ' TRP . . . -144.21 -114.36 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.416 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 1.7 m-20 -147.2 145.95 23.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.1 15.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -88.58 45.23 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.749 ' HH2' HG11 ' A' ' 20' ' ' VAL . 18.4 m0 -110.4 -53.92 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.011 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.635 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 16.4 m-85 -85.78 -49.08 8.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.3 mtt -44.12 138.52 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.18 -66.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.44 112.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -179.01 -159.36 23.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.13 41.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.2 116.64 26.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.83 160.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.35 -60.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p 44.03 90.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.76 171.4 12.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.36 168.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.52 174.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.62 -56.97 0.37 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 59.9 149.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -89.56 -45.52 9.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD22 ' HE3' ' A' ' 115' ' ' MET . 0.1 OUTLIER -57.88 -46.18 85.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.41 -50.77 66.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -45.22 -47.37 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 136' ' ' PHE . 3.8 mtt180 -58.78 -52.95 63.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -40.63 -55.16 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.603 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 91.9 t -64.84 -59.56 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.721 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.2 mt-10 -41.35 -29.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.479 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.5 t90 -77.67 -58.84 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -48.95 -23.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 54.3 t -71.75 -52.75 23.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.737 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -68.54 -37.47 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.487 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.9 mm-40 -62.99 -69.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.3 m -65.59 -53.49 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.317 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 115.89 177.34 18.36 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.69 4.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -127.62 -45.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.46 -27.13 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.5 -140.54 15.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -149.96 164.68 19.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.93 -168.08 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -100.6 179.37 4.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.39 169.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.74 94.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.65 -172.65 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.9 mm? -59.28 -16.53 22.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.82 -55.56 1.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -42.7 -52.01 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tt0 -48.61 -50.45 32.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 94.5 t -60.87 -48.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.603 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 6.5 t90 -49.99 -33.07 16.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.811 ' O ' HD11 ' A' ' 101' ' ' LEU . 38.4 mt -115.24 38.51 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 8.3 tttt -102.4 -57.37 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -40.99 -50.35 3.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.73 -21.18 43.26 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.552 HG13 ' CG2' ' A' ' 63' ' ' VAL . 55.6 t -57.77 -49.78 79.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mt -58.02 -42.01 81.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.732 HD22 ' CE2' ' A' ' 81' ' ' PHE . 24.5 mt -56.06 -49.13 74.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -59.63 -40.92 89.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -59.28 -39.37 82.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 21' ' ' GLN . 30.0 tp -56.53 -73.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.472 HG21 ' HB1' ' A' ' 84' ' ' ALA . 9.0 p -42.86 -48.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.7 m-20 -57.5 -42.18 82.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.1 p -49.38 -35.82 19.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' A' ' 88' ' ' TYR . 38.0 mt -71.37 -84.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 62.0 m-85 -35.9 149.84 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.34 10.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 10.4 pt-20 -70.67 -23.44 62.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.4 19.42 27.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -130.2 -71.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 2.7 mptm? 41.43 85.73 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -75.03 -44.77 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.472 HG13 ' HB3' ' A' ' 80' ' ' GLN . 93.0 t -96.6 160.13 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 61' ' ' VAL . 16.5 mttt -120.94 100.4 7.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.801 HG22 ' H ' ' A' ' 65' ' ' GLU . 3.4 p -108.78 125.73 31.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 6.4 3.42 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.801 ' H ' HG22 ' A' ' 63' ' ' VAL . 0.9 OUTLIER 74.91 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -72.08 127.34 90.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -75.02 -87.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.94 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.16 155.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.857 HG22 ' OH ' ' A' ' 102' ' ' TYR . 24.9 t -82.58 -58.96 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -40.91 -45.62 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -63.51 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -41.07 -49.5 3.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -59.85 3.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.19 -52.95 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.23 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -39.13 -49.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -60.68 -58.1 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.17 -49.13 17.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' VAL . 54.4 mt-30 -53.0 -41.19 64.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.732 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.0 t80 -76.76 -45.53 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.695 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.4 mt -49.18 -56.43 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.64 -39.33 80.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.472 ' HB1' HG21 ' A' ' 50' ' ' VAL . . . -63.0 -41.17 99.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.11 -39.24 78.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.51 -47.92 83.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.44 -39.22 32.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.555 ' CE1' HD13 ' A' ' 53' ' ' LEU . 4.2 t80 -53.61 -51.93 61.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.844 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 141.99 43.58 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 91' ' ' ILE . 41.0 t -99.46 148.16 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.037 HD12 ' OG1' ' A' ' 93' ' ' THR . 14.5 pt -76.53 179.86 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.23 6.36 44.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 1.037 ' OG1' HD12 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -110.56 -0.87 17.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.407 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.879 ' OD1' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -111.02 -18.35 13.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 48.7 mmm -75.46 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.695 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.2 p90 -108.31 177.32 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.5 mt-30 -98.95 138.73 35.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.8 m -42.76 -34.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -74.27 -43.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' GLN . 94.7 m-20 -48.66 -24.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 40' ' ' LEU . 18.8 tp -107.12 -71.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.857 ' OH ' HG22 ' A' ' 71' ' ' VAL . 24.7 t80 -40.17 -51.11 2.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -88.2 -18.55 28.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.94 34.27 76.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.98 -46.97 85.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -137.48 104.09 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -43.93 25.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.24 -36.9 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -72.48 -53.45 12.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.569 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 86.4 t -40.5 -29.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 109' ' ' ALA . 81.2 mt-30 -82.09 -52.36 7.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER -38.21 -34.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 m -68.73 -67.5 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.52 HD13 ' HG ' ' A' ' 14' ' ' LEU . 20.7 mt -47.88 -47.87 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.447 ' HE3' HD22 ' A' ' 10' ' ' LEU . 1.9 mtt -48.5 -26.43 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -91.92 -57.99 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.493 HD12 ' CD2' ' A' ' 88' ' ' TYR . 17.2 tp -40.54 -49.63 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.603 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -61.17 -67.73 1.99 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 t -39.25 -45.08 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.971 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.844 HD11 ' O ' ' A' ' 89' ' ' GLY . 6.1 mt -54.69 -50.1 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB1' ' CG ' ' A' ' 129' ' ' TYR . . . -66.11 -23.55 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.886 HG22 ' CE2' ' A' ' 129' ' ' TYR . 40.3 t -79.65 -67.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 52.9 m -41.89 -69.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -46.7 -43.36 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 126' ' ' ASP . 7.7 m-20 50.65 67.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER 159.66 44.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.22 51.54 0.82 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 4.4 m-80 55.4 40.13 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.886 ' CE2' HG22 ' A' ' 122' ' ' VAL . 5.8 t80 -95.18 116.56 28.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 131' ' ' GLY . 11.9 mmt180 -89.55 -66.45 0.92 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.452 ' CA ' HG21 ' A' ' 20' ' ' VAL . . . -36.88 155.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.86 146.35 98.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.848 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.94 -35.31 3.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.99 -21.72 8.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.737 ' HH2' HG11 ' A' ' 20' ' ' VAL . 33.9 m0 -57.33 -43.56 83.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 48.1 m-85 -136.44 77.14 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -76.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.69 155.84 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.96 122.08 40.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.62 153.01 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.55 8.73 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.442 1.759 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.7 m 58.16 112.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.13 108.26 0.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -127.97 142.86 51.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -163.11 168.5 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.83 133.95 7.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 p -158.93 103.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 0.727 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.78 150.82 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.16 -168.41 30.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.99 144.8 25.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 0.741 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -42.51 -51.44 5.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.32 -71.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.65 -50.18 63.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.63 -52.83 2.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -58.28 5.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 18' ' ' ILE . 2.7 mp -42.21 -46.73 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.07 -61.08 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.697 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.9 mt-10 -43.43 -32.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.563 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.7 t90 -75.61 -58.23 3.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 14' ' ' LEU . 10.7 mt -49.35 -23.88 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 32.8 t -71.88 -53.15 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.738 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.2 m -69.12 -40.83 81.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.675 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.8 mm-40 -56.9 -67.73 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.7 m -69.2 -54.42 14.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.278 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.77 175.54 15.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.62 4.0 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -129.2 -46.45 1.22 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 45' ' ' ILE . 34.4 m -69.01 -30.69 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.23 -155.6 28.7 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -119.78 171.8 5.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 110.328 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -75.02 167.81 26.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.504 1.791 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.88 -164.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -50.09 177.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -42.74 -82.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 34' ' ' LEU . 4.9 mtm180 -71.87 158.25 36.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER 42.24 91.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.78 -64.0 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -51.02 -37.09 43.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.8 tm0? -62.38 -51.22 68.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.18 -40.68 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 20.1 t90 -53.96 -38.71 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.829 ' O ' HD21 ' A' ' 101' ' ' LEU . 21.1 mt -110.23 43.54 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -105.28 -58.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -41.29 -54.04 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.41 -32.53 6.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.584 HG13 ' CG2' ' A' ' 63' ' ' VAL . 24.7 t -43.11 -42.97 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.401 ' CD1' ' HB ' ' A' ' 26' ' ' VAL . 10.3 mt -68.27 -48.63 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 101' ' ' LEU . 29.1 mt -56.4 -46.08 80.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.608 ' HB2' HG11 ' A' ' 61' ' ' VAL . 35.2 p -62.95 -35.71 81.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -67.18 -35.27 79.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 21' ' ' GLN . 16.1 tp -58.58 -71.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.496 HG22 ' CD1' ' A' ' 54' ' ' TYR . 7.2 p -43.72 -42.06 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.21 -59.26 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -39.38 -46.52 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.682 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 56.6 mt -61.21 -78.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 60' ' ' PRO . 24.8 m-85 -36.17 151.1 0.1 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.44 20.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -63.39 -39.71 95.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.5 44.58 3.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.416 1.072 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.64 -73.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? 42.18 89.11 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.564 ' HG3' ' CD1' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -60.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.43 1.752 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.608 HG11 ' HB2' ' A' ' 47' ' ' SER . 45.2 t -78.44 166.97 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.511 ' N ' HG12 ' A' ' 61' ' ' VAL . 10.3 mttt -130.43 104.74 7.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.584 ' CG2' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -115.8 126.76 27.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 179.74 5.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.43 -34.78 76.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -112.4 159.45 33.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.505 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -74.93 139.5 24.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.451 1.763 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -75.02 -169.26 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.63 -157.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 54.95 166.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.555 HG22 ' OH ' ' A' ' 102' ' ' TYR . 39.5 t -84.77 -61.95 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -42.48 -48.62 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -62.89 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -42.64 -58.06 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.531 ' HE3' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -49.36 -49.33 44.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -50.85 58.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -39.82 -55.02 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 81' ' ' PHE . 55.1 t -60.94 -56.36 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.6 -50.72 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' HB3' HG13 ' A' ' 61' ' ' VAL . 70.7 mt-30 -49.7 -41.95 44.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -74.38 -45.87 44.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.83 HD21 ' CE1' ' A' ' 96' ' ' PHE . 31.9 mt -48.29 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -48.04 -41.99 27.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.46 89.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.75 -29.16 70.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.94 45.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -49.78 -44.07 48.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.682 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 7.4 t80 -45.3 -37.12 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.868 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 126.51 39.42 0.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.517 HG22 HD12 ' A' ' 120' ' ' LEU . 55.3 t -104.18 137.44 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.753 HD11 ' OD1' ' A' ' 94' ' ' ASP . 13.1 pt -67.89 -175.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -99.42 -15.96 18.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 93' ' ' THR . 0.7 OUTLIER -90.97 2.76 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.753 ' OD1' HD11 ' A' ' 91' ' ' ILE . 83.8 m-20 -110.59 -21.49 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.454 ' SD ' HG23 ' A' ' 113' ' ' THR . 55.3 mmm -77.28 168.43 20.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.83 ' CE1' HD21 ' A' ' 82' ' ' LEU . 46.0 p90 -129.88 178.94 6.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 100' ' ' ASP . 9.0 mt-30 -99.88 131.9 45.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' GLN . 5.9 m -37.06 -47.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.368 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.8 p -56.08 -52.59 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.522 ' N ' HG13 ' A' ' 99' ' ' VAL . 37.4 m-20 -40.0 -30.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.829 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.0 tp -99.94 -62.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.555 ' OH ' HG22 ' A' ' 71' ' ' VAL . 10.3 t80 -46.7 -57.52 4.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' HB2' HG22 ' A' ' 99' ' ' VAL . 51.1 mm-40 -98.2 23.28 8.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.69 35.53 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -23.3 31.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.69 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -175.8 113.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 46.6 mmm -85.65 -34.11 21.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.59 61.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.22 36.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.702 HG22 ' CD2' ' A' ' 96' ' ' PHE . 84.8 t -48.36 -26.91 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -83.15 -50.32 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -31.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.454 HG23 ' SD ' ' A' ' 95' ' ' MET . 34.5 m -67.97 -62.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.5 mt -46.28 -49.58 17.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.407 ' SD ' HD11 ' A' ' 14' ' ' LEU . 86.2 mmm -50.76 -35.48 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.7 -49.18 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.5 tp -50.39 -49.16 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.12 -60.21 9.46 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 t -43.79 -49.2 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.868 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.4 mt -49.24 -39.98 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 129' ' ' TYR . . . -75.19 -33.63 61.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 136' ' ' PHE . 56.7 t -61.04 -37.49 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.4 m -60.43 -46.18 90.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 126' ' ' ASP . 38.6 mttt -73.47 -45.53 53.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.44 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 124' ' ' LYS . 11.8 m-20 -97.15 57.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.446 ' O ' ' ND2' ' A' ' 128' ' ' ASN . . . -142.68 -61.93 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.632 ' O ' HD22 ' A' ' 53' ' ' LEU . 4.3 m120 -142.96 53.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.439 ' CD1' ' HB1' ' A' ' 121' ' ' ALA . 1.4 t80 -140.65 152.99 45.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -128.57 -54.13 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.561 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -67.51 -170.08 4.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.571 1.17 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 145.7 42.85 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -40.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -44.04 -27.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.738 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.2 m0 -48.05 -67.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.998 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.435 ' HB2' HG21 ' A' ' 122' ' ' VAL . 97.9 m-85 -87.99 -38.68 15.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.9 ttp -49.99 160.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.15 98.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.1 p -169.78 147.46 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -113.73 153.08 17.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.12 4.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 m -78.66 105.94 10.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.5 m -142.54 140.04 31.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -157.32 176.08 13.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.51 106.99 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.78 -85.18 1.28 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.142 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 p 65.31 166.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -138.12 128.27 25.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.93 -176.37 14.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -49.61 158.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -39.09 93.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -71.63 -42.64 67.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -61.54 -53.95 49.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 2.5 mm-40 -38.71 -44.3 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -54.59 24.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 72.0 mt -44.17 -60.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 19' ' ' VAL . 57.7 t -56.44 -51.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 20' ' ' VAL . 4.5 mm-40 -49.78 -26.41 3.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CD1' ' CE1' ' A' ' 129' ' ' TYR . 22.7 t90 -84.24 -61.07 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mt -47.55 -24.63 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 15' ' ' VAL . 38.3 t -69.74 -53.66 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.739 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -68.22 -40.08 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.56 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.7 mm-40 -59.11 -69.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.96 -54.42 22.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.284 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.99 -179.76 17.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.67 3.72 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.91 -51.19 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.5 m -64.02 -30.32 49.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.04 -151.03 21.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -133.64 158.69 74.95 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.02 167.48 26.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.28 -171.32 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -39.83 155.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 33' ' ' ARG . . . -75.67 113.76 4.02 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER 163.85 -59.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 110.301 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 35' ' ' GLY . 2.3 mt -132.33 -44.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -30.48 -51.74 0.21 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.424 ' O ' ' CB ' ' A' ' 39' ' ' TRP . 31.5 t80 -49.8 -58.36 5.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.45 -67.12 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.4 t -40.56 -43.02 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -51.45 -51.8 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 108.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.763 ' O ' HD21 ' A' ' 101' ' ' LEU . 5.1 mt -106.96 48.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -100.36 -64.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -51.58 -51.1 58.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 104.4 11.32 31.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.52 1.138 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.515 HG13 HG23 ' A' ' 63' ' ' VAL . 41.4 t -77.12 -56.86 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -58.61 -40.8 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 40' ' ' LEU . 14.1 mt -53.75 -51.31 63.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.4 m -56.58 -46.02 81.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG3' HG21 ' A' ' 63' ' ' VAL . 31.4 mttm -54.28 -38.8 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' HB3' ' A' ' 21' ' ' GLN . 22.4 tp -58.0 -70.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.9 p -46.81 -44.46 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' SER . 7.5 m-80 -59.3 -52.89 63.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASN . 10.6 p -39.13 -39.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' TYR . 28.3 mt -66.7 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.9 m-85 -36.55 154.78 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -166.7 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.48 -30.62 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.59 38.32 3.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.66 -71.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.23 88.4 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.99 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.663 HG13 ' HB3' ' A' ' 80' ' ' GLN . 48.7 t -100.26 159.38 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -120.68 98.5 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 44' ' ' VAL . 2.5 p -99.91 114.77 65.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.85 40.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -50.88 -69.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -78.0 145.26 69.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -74.97 151.42 39.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -75.02 133.76 16.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.17 -56.95 3.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.95 149.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.04 -65.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -38.51 -47.85 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.32 -57.1 14.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -48.25 -58.74 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 6.5 mmm -47.78 -46.01 29.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.76 -51.21 70.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -39.16 -48.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG22 ' CA ' ' A' ' 43' ' ' GLY . 95.2 t -66.65 -51.55 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.27 -41.9 19.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HB3' HG13 ' A' ' 61' ' ' VAL . 72.7 mt-30 -56.55 -45.55 81.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -72.49 -42.31 65.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.741 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 42.9 mt -51.64 -61.73 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -53.89 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.22 99.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.49 -37.98 71.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -53.42 55.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -44.39 -39.87 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -53.64 -54.18 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.841 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 147.26 44.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 120' ' ' LEU . 62.7 t -103.61 138.76 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.575 HD12 ' HB ' ' A' ' 93' ' ' THR . 14.7 pt -74.19 174.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -92.89 3.57 55.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.575 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -102.37 -4.75 25.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.625 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.8 OUTLIER -113.53 -13.34 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 64.5 mmm -82.4 147.22 28.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.741 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 20.1 p90 -116.51 179.2 4.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' ASP . 3.1 mt-30 -98.82 138.16 36.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.526 HG22 ' SD ' ' A' ' 75' ' ' MET . 17.7 m -37.56 -40.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.661 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.7 p -65.22 -52.59 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.527 ' N ' HG13 ' A' ' 99' ' ' VAL . 97.3 m-20 -40.58 -29.58 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.763 HD21 ' O ' ' A' ' 40' ' ' LEU . 25.8 tp -98.06 -61.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 75' ' ' MET . 19.2 t80 -49.06 -56.39 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.661 ' HB2' HG22 ' A' ' 99' ' ' VAL . 50.4 mm-40 -89.15 11.9 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.13 42.78 0.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -68.52 -30.2 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.724 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.5 m-20 -143.65 107.56 4.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 mmt -80.53 -36.52 33.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.05 97.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -61.31 -55.71 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 106' ' ' ASP . 93.5 t -39.82 -33.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -77.91 -51.72 9.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.89 -33.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.7 m -73.82 -65.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.01 -43.51 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.6 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -48.09 -39.34 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.625 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -79.27 -52.13 8.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.7 tp -43.12 -60.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -51.22 -63.95 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.22 -44.1 10.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.74 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.841 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.5 mt -54.54 -45.87 73.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.43 68.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' A' ' 133' ' ' PRO . 65.3 t -64.49 -39.92 87.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 12.6 m -63.0 -47.47 82.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 125' ' ' ASN . 50.8 mttt -56.65 -92.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 124' ' ' LYS . 5.7 t-20 78.31 99.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.17 -50.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.469 ' H ' ' ND2' ' A' ' 128' ' ' ASN . . . 170.0 55.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' A' ' 127' ' ' GLY . 0.1 OUTLIER -132.08 -48.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.738 ' CE1' ' CD1' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -74.57 116.76 15.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -94.45 37.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.515 ' HA3' ' CH2' ' A' ' 135' ' ' TRP . . . -142.87 -120.95 1.59 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 11.7 m-20 -140.77 148.67 53.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.413 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.04 -24.13 13.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -86.8 47.88 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.739 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.4 m0 -113.05 -46.55 3.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.661 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 21.0 m-85 -96.18 10.19 38.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 74.4 mmm -64.72 126.74 28.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.67 -59.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.7 m 68.42 127.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -171.8 157.67 28.0 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 61.63 5.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.29 -7.68 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.7 t -104.69 -56.81 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.64 78.67 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.74 117.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.37 133.12 11.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.55 169.49 15.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.777 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.67 147.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.01 -85.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 57.55 167.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.33 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.0 -57.62 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -41.19 -60.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -39.04 -55.45 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -45.47 -52.79 9.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -63.56 -56.78 13.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 111' ' ' GLN . 19.6 mt -41.52 -56.08 2.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.694 HG13 ' CH2' ' A' ' 39' ' ' TRP . 97.8 t -60.15 -51.41 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.672 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mm-40 -47.49 -26.02 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.503 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -82.73 -60.36 2.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -47.68 -24.75 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 23' ' ' GLY . 21.6 t -69.64 -56.11 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.702 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -64.94 -38.84 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.6 ' OE1' HD21 ' A' ' 53' ' ' LEU . 4.4 mm-40 -60.59 -71.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.5 m -62.14 -54.04 46.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 108.256 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.05 175.67 16.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.24 3.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -128.31 -44.76 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.453 ' HB ' HD11 ' A' ' 45' ' ' ILE . 30.1 m -72.18 -28.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.56 -156.59 29.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -120.96 167.98 11.86 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.562 ' CD ' HG11 ' A' ' 15' ' ' VAL . 18.1 Cg_endo -74.99 123.59 8.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.31 144.91 27.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . 117.41 73.54 0.48 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.676 ' C ' HD23 ' A' ' 34' ' ' LEU . 2.9 mmt180 66.73 -68.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -147.43 90.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.72 -70.0 1.31 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -37.81 -58.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' HE1' ' A' ' 107' ' ' MET . 0.9 OUTLIER -43.76 -55.48 4.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 34' ' ' LEU . 85.8 t -63.97 -43.63 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.694 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.7 t90 -50.46 -38.15 42.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.6 1.188 . . . . 0.0 108.023 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.798 ' O ' HD21 ' A' ' 101' ' ' LEU . 44.5 mt -111.7 44.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 50.9 tttt -108.55 -56.18 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -44.01 -41.32 5.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.61 -33.06 5.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.2 t -45.02 -49.56 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.453 HD11 ' HB ' ' A' ' 26' ' ' VAL . 7.5 mt -60.02 -41.75 87.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 HD21 ' A' ' 101' ' ' LEU . 39.0 mt -63.22 -49.86 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.689 ' HB2' HG11 ' A' ' 61' ' ' VAL . 59.9 p -59.29 -37.43 77.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.73 ' HE2' HG11 ' A' ' 63' ' ' VAL . 29.3 mttm -65.85 -32.3 73.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 21' ' ' GLN . 20.3 tp -63.08 -74.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.6 p -41.62 -47.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.429 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -53.03 -58.65 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 p -40.52 -49.37 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD21 ' OE1' ' A' ' 21' ' ' GLN . 61.3 mt -55.02 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -39.12 138.57 0.85 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.4 Cg_endo -74.98 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.24 137.12 57.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.77 -9.94 58.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -100.85 -28.33 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.99 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -39.01 110.09 0.57 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 47' ' ' SER . 70.0 t -75.03 157.76 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -122.59 98.99 6.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.73 HG11 ' HE2' ' A' ' 48' ' ' LYS . 58.9 t -69.11 113.34 15.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 155.26 42.91 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.26 -56.82 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -98.95 157.97 33.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.453 ' CB ' ' HB3' ' A' ' 73' ' ' LYS . 18.3 Cg_endo -74.98 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER 79.73 -58.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.7 mtt -59.84 139.55 57.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.899 HG22 ' OH ' ' A' ' 102' ' ' TYR . 60.3 t -48.77 -74.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -38.89 -39.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -68.04 -61.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -44.41 -57.14 3.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.514 ' SD ' ' CG ' ' A' ' 102' ' ' TYR . 7.3 mmm -45.99 -42.83 13.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -48.22 72.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -42.13 -51.83 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.26 -49.41 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.96 -48.08 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -51.3 -41.83 60.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.432 ' CD2' ' HB3' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -75.82 -47.64 24.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.917 HD21 ' CE1' ' A' ' 96' ' ' PHE . 32.2 mt -46.38 -62.56 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -51.51 -41.23 60.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.19 -42.82 99.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -52.59 -43.79 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -50.94 71.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -47.6 -47.9 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.535 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 4.4 t80 -45.65 -33.44 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.809 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 124.23 39.38 0.48 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 HD12 ' A' ' 120' ' ' LEU . 44.8 t -105.27 136.18 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.64 HD12 ' HB ' ' A' ' 93' ' ' THR . 8.5 pt -73.69 169.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -87.96 6.57 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.64 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -103.24 -11.65 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.23 -14.7 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.441 ' HA ' HG23 ' A' ' 113' ' ' THR . 50.0 mmm -76.26 152.81 36.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.917 ' CE1' HD21 ' A' ' 82' ' ' LEU . 41.0 p90 -111.42 -179.89 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.8 mm-40 -103.3 128.62 50.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.2 m -36.8 -45.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.9 p -58.84 -52.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.536 ' N ' HG13 ' A' ' 99' ' ' VAL . 76.6 m-20 -41.21 -28.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.798 HD21 ' O ' ' A' ' 40' ' ' LEU . 11.3 tp -98.79 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.899 ' OH ' HG22 ' A' ' 71' ' ' VAL . 37.8 t80 -48.42 -53.96 15.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.553 ' HB2' HG22 ' A' ' 99' ' ' VAL . 5.7 mm-40 -97.54 18.77 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.58 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.8 OUTLIER -52.41 -41.42 63.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 110' ' ' VAL . 2.0 t70 -150.34 100.61 2.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.494 ' HE1' ' HA ' ' A' ' 37' ' ' GLN . 1.5 mmt -67.92 -39.76 83.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -58.03 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -47.01 -60.53 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.419 HG23 ' H ' ' A' ' 110' ' ' VAL . 25.6 t -39.29 -41.71 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 58.8 mt-30 -74.16 -49.56 23.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -30.64 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 95' ' ' MET . 42.0 m -77.35 -61.26 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.39 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.95 -46.67 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.451 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -44.41 -40.03 5.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 117' ' ' LEU . . . -80.25 -53.27 6.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 116' ' ' ALA . 22.8 tp -40.38 -47.66 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -57.3 -66.35 2.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 t -43.03 -46.65 5.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.784 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.809 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.2 mt -52.67 -42.26 64.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.535 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -71.61 -32.09 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.37 -52.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 6.4 m -42.62 -36.29 1.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -78.22 -56.04 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.5 p30 40.42 49.14 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -52.88 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.02 57.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -131.08 -46.27 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.526 ' OH ' ' CD1' ' A' ' 136' ' ' PHE . 0.5 OUTLIER -66.4 120.32 13.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -70.51 -53.14 17.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.574 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -65.22 -152.47 0.11 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.07 151.16 39.45 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.13 16.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.531 1.806 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -87.27 46.78 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.702 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.7 m0 -114.33 -40.12 3.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.526 ' CD1' ' OH ' ' A' ' 129' ' ' TYR . 16.3 m-85 -136.27 75.98 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.48 115.72 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -165.43 115.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.8 t -109.0 101.68 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -107.25 -151.49 17.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.46 4.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.5 t -122.21 117.91 27.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.5 p 43.92 86.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -154.52 152.85 30.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.774 . . . . 0.0 109.993 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.88 139.32 43.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.12 61.89 2.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.37 161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.029 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.58 122.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.97 -149.79 21.92 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -114.87 154.33 28.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -61.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -65.1 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.92 -59.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -41.56 -49.57 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -57.37 7.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 56.1 mt -41.28 -55.82 2.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.699 HG13 ' CH2' ' A' ' 39' ' ' TRP . 60.4 t -59.17 -49.93 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.656 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mm-40 -49.96 -25.57 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.554 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 25.9 t90 -83.5 -65.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG23 ' SG ' ' A' ' 22' ' ' CYS . 11.2 mt -42.67 -29.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 15' ' ' VAL . 20.7 t -64.29 -55.2 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.754 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -66.94 -44.92 88.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.727 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.4 mm-40 -57.01 -67.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.421 ' SG ' HG23 ' A' ' 18' ' ' ILE . 71.1 m -63.38 -54.06 42.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 108.287 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 115.47 176.21 18.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.42 3.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.951 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.13 -47.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.5 -32.29 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.42 -141.73 16.02 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -128.85 165.82 29.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.32 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.92 163.2 35.94 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.32 177.79 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 165.67 19.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.78 161.45 0.85 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -47.71 83.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -44.68 -42.56 7.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.08 -70.65 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -41.76 -51.55 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HA ' ' HE1' ' A' ' 107' ' ' MET . 0.9 OUTLIER -42.75 -64.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.3 -47.09 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.699 ' CH2' HG13 ' A' ' 15' ' ' VAL . 2.8 t90 -43.48 -46.0 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.825 ' O ' HD11 ' A' ' 101' ' ' LEU . 13.8 mt -111.8 53.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -107.36 -65.86 1.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -41.57 -49.6 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.65 -20.97 24.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 67' ' ' PRO . 54.0 t -51.88 -49.69 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mt -60.83 -37.87 77.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.741 HD22 ' CE2' ' A' ' 81' ' ' PHE . 33.4 mt -65.39 -45.03 85.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.473 ' HB2' HG11 ' A' ' 61' ' ' VAL . 95.6 p -64.5 -40.86 96.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HE2' ' CG1' ' A' ' 63' ' ' VAL . 26.2 mttm -62.08 -33.16 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.727 HD12 ' HB3' ' A' ' 21' ' ' GLN . 29.7 tp -60.5 -74.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 54' ' ' TYR . 10.3 p -42.41 -45.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' SER . 1.0 OUTLIER -50.67 -59.93 3.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -38.45 -47.05 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.484 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 30.4 mt -59.6 -82.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 41.8 m-85 -37.18 149.88 0.16 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -172.85 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' HA ' ' CE ' ' A' ' 59' ' ' LYS . 8.6 pt-20 -81.86 -26.55 34.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.49 17.35 34.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -71.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER 41.75 89.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.573 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.06 -61.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.473 HG11 ' HB2' ' A' ' 47' ' ' SER . 57.8 t -84.16 157.91 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.53 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.449 ' CG1' ' HE2' ' A' ' 48' ' ' LYS . 67.2 t -81.06 114.21 47.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -173.42 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.87 -56.35 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -129.54 153.23 80.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HB3' HG21 ' A' ' 44' ' ' VAL . 18.1 Cg_endo -75.04 136.37 20.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.432 1.754 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.99 -177.99 3.85 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.44 -40.31 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.71 163.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.515 HG22 ' OH ' ' A' ' 102' ' ' TYR . 85.2 t -82.63 -63.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -38.89 -47.9 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -61.2 -65.32 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -44.4 -56.96 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -51.57 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.46 -54.2 48.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -39.82 -46.75 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 81' ' ' PHE . 78.5 t -65.41 -57.96 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.53 -46.61 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -52.08 -45.95 65.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.741 ' CE2' HD22 ' A' ' 46' ' ' LEU . 1.2 t80 -70.52 -46.86 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.718 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.8 mt -46.31 -53.5 10.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -59.12 -40.74 86.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 50' ' ' VAL . . . -62.72 -40.84 98.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.8 -54.47 46.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.22 -35.11 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -59.44 -46.59 88.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 120' ' ' LEU . 1.5 t80 -49.66 -55.39 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.785 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 152.08 43.07 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 78.3 t -96.33 135.23 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.903 HD12 ' OG1' ' A' ' 93' ' ' THR . 25.8 pt -58.91 174.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -91.7 -10.48 40.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.903 ' OG1' HD12 ' A' ' 91' ' ' ILE . 67.7 p -97.08 4.07 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.608 ' OD1' HD11 ' A' ' 91' ' ' ILE . 61.9 m-20 -108.31 -21.98 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -69.12 129.27 39.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.718 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 13.1 p90 -107.08 179.01 4.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 100' ' ' ASP . 4.7 mt-30 -95.61 133.94 39.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 26.4 m -38.61 -42.72 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.604 HG22 ' HB2' ' A' ' 103' ' ' GLU . 7.4 p -62.62 -52.18 62.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.521 ' N ' HG13 ' A' ' 99' ' ' VAL . 73.9 m-20 -38.33 -32.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.825 HD11 ' O ' ' A' ' 40' ' ' LEU . 14.7 tp -101.03 -65.39 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.515 ' OH ' HG22 ' A' ' 71' ' ' VAL . 29.0 t80 -42.01 -49.49 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.604 ' HB2' HG22 ' A' ' 99' ' ' VAL . 72.0 mm-40 -104.68 23.77 12.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 34.68 35.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -57.51 -44.3 84.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 110' ' ' VAL . 52.0 m-20 -143.75 97.59 3.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -69.11 -38.67 79.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.81 -41.0 31.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -67.52 -54.46 19.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.581 HG22 ' HB2' ' A' ' 101' ' ' LEU . 57.8 t -39.55 -34.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -75.04 -52.53 10.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.1 -35.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.4 m -72.27 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 16.5 mt -52.08 -47.42 65.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.31 -28.22 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.525 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -85.58 -55.1 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.421 HD12 ' CD2' ' A' ' 88' ' ' TYR . 14.6 tp -46.26 -60.52 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.554 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -48.14 -67.69 1.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -44.08 -44.87 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.785 HD11 ' C ' ' A' ' 89' ' ' GLY . 1.3 mt -53.43 -47.27 69.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.29 93.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.3 t -64.58 -50.11 77.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 7.6 m -47.78 -56.05 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 125' ' ' ASN . 61.4 mttt -47.86 -58.31 4.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 124' ' ' LYS . 20.1 t30 40.56 67.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.37 -45.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 148.24 74.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -134.49 -63.16 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.722 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.578 ' CE2' ' O ' ' A' ' 131' ' ' GLY . 0.0 OUTLIER -81.66 -166.8 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -137.09 27.83 2.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.578 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -115.64 141.54 17.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.515 ' HB2' ' CE2' ' A' ' 135' ' ' TRP . 1.5 m-20 -54.31 151.79 12.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -29.47 8.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.754 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.4 m0 -119.34 -44.79 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.42 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 96.1 m-85 -139.02 76.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -94.3 145.13 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -147.19 152.37 38.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.03 -60.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 172.62 -164.51 36.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.156 . . . . 0.0 110.957 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 81.58 2.19 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 58.1 m -51.42 -58.47 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.9 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 m -143.55 -58.67 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -112.75 89.1 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.19 63.86 0.54 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -115.64 88.55 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 p -175.2 147.04 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 12' ' ' GLU . . . -96.19 72.14 0.85 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -45.42 145.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -40.26 -56.2 2.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.59 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.6 OUTLIER -49.13 -68.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.49 -57.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -39.11 -49.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HD3' ' CG ' ' A' ' 136' ' ' PHE . 13.4 ttm105 -67.61 -56.76 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -40.14 -52.81 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG13 ' CH2' ' A' ' 39' ' ' TRP . 60.7 t -65.77 -61.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mt-10 -38.6 -32.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.521 ' NE1' ' CE1' ' A' ' 129' ' ' TYR . 12.6 t90 -76.26 -70.73 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 14' ' ' LEU . 6.7 mt -42.37 -27.8 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' C ' ' A' ' 17' ' ' TRP . 7.9 t -62.22 -53.73 43.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -65.89 -50.45 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.58 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -51.79 -66.06 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -61.45 -53.88 50.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 108.328 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 110.08 178.29 20.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 54.44 3.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.81 -47.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' HB ' HD11 ' A' ' 45' ' ' ILE . 34.7 m -69.33 -32.59 54.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.58 -129.58 9.95 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -163.01 169.01 9.45 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.499 0.764 . . . . 0.0 110.292 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -74.99 139.55 24.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.85 164.36 12.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' CD ' ' N ' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -58.77 176.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' N ' ' CD ' ' A' ' 31' ' ' ARG . . . 125.55 -171.43 17.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.644 ' O ' HD23 ' A' ' 34' ' ' LEU . 33.6 mtt-85 -50.43 -64.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -145.71 89.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.8 -61.09 3.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -42.38 -60.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -45.49 -49.85 13.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 34' ' ' LEU . 98.1 t -63.25 -42.84 97.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 15' ' ' VAL . 12.9 t90 -53.23 -44.02 67.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 107.999 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.769 ' O ' HD21 ' A' ' 101' ' ' LEU . 79.3 mt -106.91 42.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -104.35 -57.46 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -40.24 -54.29 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.06 -31.87 7.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.527 HG11 ' O ' ' A' ' 65' ' ' GLU . 46.9 t -49.86 -45.75 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.401 HD11 ' HB ' ' A' ' 26' ' ' VAL . 7.8 mt -60.07 -49.46 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.636 HD11 HD21 ' A' ' 101' ' ' LEU . 33.0 mt -53.29 -48.92 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.3 p -60.22 -40.99 92.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HD2' HG12 ' A' ' 44' ' ' VAL . 8.1 mttm -61.87 -35.23 77.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 21' ' ' GLN . 22.7 tp -58.43 -74.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 51' ' ' ASN . 3.3 p -45.32 -46.6 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' CG1' ' A' ' 50' ' ' VAL . 8.6 m-80 -56.58 -52.98 62.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 p -50.5 -53.1 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' TYR . 46.9 mt -50.27 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 20.3 m-85 -36.06 145.93 0.22 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -57.73 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.95 40.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.85 -14.24 37.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.02 101.15 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.06 -43.25 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.781 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 81' ' ' PHE . 93.2 t -93.22 152.58 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -115.26 102.1 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.81 HG22 ' H ' ' A' ' 65' ' ' GLU . 3.4 p -106.91 125.62 32.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.4 Cg_endo -75.03 4.12 5.04 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.81 ' H ' HG22 ' A' ' 63' ' ' VAL . 1.4 tt0 79.7 -71.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.06 132.54 82.46 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.01 145.05 30.93 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.02 -88.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.74 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.8 mtt -42.38 156.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG13 ' CE2' ' A' ' 102' ' ' TYR . 36.9 t -79.27 -53.01 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -45.37 -53.57 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -55.52 -67.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -40.06 -52.13 2.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -54.86 19.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.32 -48.34 46.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -41.22 -52.77 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.9 t -57.98 -51.85 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.47 -50.57 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -49.63 -40.51 39.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' HA ' HG21 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -75.33 -45.16 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 25.8 mt -50.3 -52.77 33.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -59.97 -32.23 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.6 -38.32 67.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 86' ' ' GLU . . . -54.59 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -34.91 -48.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.3 -56.73 10.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 7.8 t80 -41.5 -36.69 0.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.481 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 147.56 -18.39 1.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 94' ' ' ASP . 83.9 t -44.11 153.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.671 HD12 ' OG1' ' A' ' 93' ' ' THR . 8.6 pt -103.15 -170.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -99.2 -9.57 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.671 ' OG1' HD12 ' A' ' 91' ' ' ILE . 11.5 p -83.89 -20.6 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.377 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.462 ' CG ' HG13 ' A' ' 90' ' ' VAL . 6.8 p30 -102.84 -13.36 17.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -67.42 145.2 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 12.0 p90 -122.64 175.5 6.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -96.72 137.82 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 m -43.13 -37.3 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -68.3 -46.82 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.438 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 81.9 m-20 -44.52 -27.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 40' ' ' LEU . 20.9 tp -104.84 -63.49 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.594 ' CE2' HG13 ' A' ' 71' ' ' VAL . 16.7 t80 -50.44 -56.81 9.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.04 10.21 17.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.08 46.66 1.86 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -72.67 -42.6 64.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -150.46 108.55 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.251 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 43.3 mmm -83.15 -36.16 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -42.84 -33.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -82.42 -49.65 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.269 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 101' ' ' LEU . 54.4 t -42.45 -31.06 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.443 ' HG2' ' CD2' ' A' ' 14' ' ' LEU . 72.3 mt-30 -76.56 -52.63 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.33 -34.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.441 HG21 ' CE2' ' A' ' 96' ' ' PHE . 1.6 m -69.06 -55.71 9.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.415 HD13 ' HG ' ' A' ' 14' ' ' LEU . 16.5 mt -58.99 -51.34 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.59 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -45.43 -33.43 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.99 -52.42 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 117' ' ' LEU . 13.0 tp -47.17 -62.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -44.87 -67.58 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.34 -46.47 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.481 HD11 ' C ' ' A' ' 89' ' ' GLY . 3.1 mt -54.59 -45.45 73.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.37 82.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 137' ' ' MET . 54.0 t -68.92 -40.55 81.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.1 m -48.08 -50.88 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.378 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.47 -89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 126' ' ' ASP . 23.1 p30 172.11 57.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 125' ' ' ASN . 40.4 t0 40.15 34.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.91 -78.94 0.5 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -74.39 -40.44 62.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.521 ' CE1' ' NE1' ' A' ' 17' ' ' TRP . 24.6 t80 -56.62 115.69 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -77.51 -42.12 36.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.571 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -60.34 -171.26 0.61 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.8 142.52 24.7 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.712 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -75.03 -36.2 2.67 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -54.22 -20.62 7.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.704 ' HH2' HG11 ' A' ' 20' ' ' VAL . 28.3 m0 -51.78 -67.29 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 108.027 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.481 ' CG ' ' HD3' ' A' ' 13' ' ' ARG . 92.9 m-85 -86.11 -38.96 17.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.752 ' HB2' HG11 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -74.62 111.46 9.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.994 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -64.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.89 167.37 22.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 140.41 148.12 5.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.24 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.79 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.6 t -56.2 131.72 48.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.953 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 42.3 t -79.42 152.72 30.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.8 108.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.957 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -64.56 119.19 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.44 -108.62 1.22 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m 65.02 144.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -149.87 171.13 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.79 118.58 3.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.6 mt-10 -106.8 169.91 8.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 0.753 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.38 -36.39 68.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.63 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -78.11 -44.88 24.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -60.96 -50.68 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 2.7 mm-40 -41.0 -47.98 3.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -60.93 -53.41 57.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.714 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -40.47 -55.87 2.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.836 HG13 ' CH2' ' A' ' 39' ' ' TRP . 43.2 t -62.71 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.724 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.3 mt-10 -41.96 -31.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 18.3 t90 -78.06 -65.51 0.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mt -43.71 -27.25 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLY . 24.5 t -66.81 -54.61 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.764 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.2 m -66.5 -37.76 80.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.551 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.5 mm-40 -61.58 -70.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.4 m -63.92 -53.8 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 119.31 179.1 16.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 55.37 3.91 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.81 -52.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.9 m -63.84 -33.63 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.45 -149.26 20.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -129.61 169.05 14.19 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.562 0.801 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo -75.03 116.83 4.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.79 136.14 55.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 171.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 33' ' ' ARG . . . 102.58 144.4 14.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -36.41 140.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD12 ' NH1' ' A' ' 33' ' ' ARG . 0.1 OUTLIER 46.49 94.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.26 -58.38 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.597 1.186 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 59.6 t80 -53.39 -42.49 66.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -50.29 -58.85 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -54.94 -44.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.836 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.2 t90 -46.82 -39.3 11.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.775 ' O ' HD11 ' A' ' 101' ' ' LEU . 50.8 mt -112.32 47.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -109.48 -58.13 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -40.3 -58.61 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.44 -34.8 4.63 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.712 HG13 ' CG2' ' A' ' 63' ' ' VAL . 79.1 t -46.64 -45.26 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.6 mt -62.72 -57.18 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD11 HD21 ' A' ' 101' ' ' LEU . 27.9 mt -50.51 -42.39 54.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.437 ' HB2' HG11 ' A' ' 61' ' ' VAL . 83.1 p -66.95 -40.0 87.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -62.43 -35.39 79.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 21' ' ' GLN . 22.0 tp -59.79 -71.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -45.43 -46.04 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.05 -53.16 59.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.1 p -39.75 -46.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.59 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 35.2 m-85 -43.86 134.03 3.95 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.2 25.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.77 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -50.91 133.22 27.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.71 -30.31 7.08 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.55 -16.05 50.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.09 101.57 0.25 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -70.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.493 HG21 ' HA ' ' A' ' 81' ' ' PHE . 67.6 t -56.39 158.85 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -117.56 103.32 9.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.712 ' CG2' HG13 ' A' ' 44' ' ' VAL . 1.3 p -117.32 118.95 35.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.76 -50.88 71.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -98.36 145.97 30.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.07 144.24 29.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.97 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.11 -47.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.12 146.03 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.87 -71.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -40.17 -32.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -65.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -48.41 -54.7 13.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -42.71 39.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -67.3 -43.08 82.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -46.4 -49.77 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.1 t -67.24 -53.13 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.08 -49.29 11.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.401 ' HB3' HG13 ' A' ' 61' ' ' VAL . 72.2 mt-30 -50.64 -44.64 57.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.493 ' HA ' HG21 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -72.48 -45.72 58.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.498 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -48.24 -54.0 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -60.42 -39.62 88.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.7 95.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.73 -29.61 70.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.343 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -51.91 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -35.56 51.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -52.8 -50.29 63.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.886 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 142.13 43.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.458 HG22 HD12 ' A' ' 120' ' ' LEU . 79.5 t -106.94 133.58 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.68 HD11 ' OD1' ' A' ' 94' ' ' ASP . 29.2 pt -58.39 -172.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -108.07 -2.58 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.625 ' OG1' HD12 ' A' ' 91' ' ' ILE . 13.0 p -104.83 3.18 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.68 ' OD1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -111.44 -14.95 13.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.42 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 66.6 mmm -84.98 158.93 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 47.5 p90 -125.44 175.45 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' THR . 0.9 OUTLIER -94.43 136.1 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 9.9 m -36.72 -50.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.8 p -55.1 -53.05 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.527 ' N ' HG13 ' A' ' 99' ' ' VAL . 20.7 m-20 -39.29 -30.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.775 HD11 ' O ' ' A' ' 40' ' ' LEU . 19.4 tp -99.51 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -45.01 -54.96 5.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HB2' HG22 ' A' ' 99' ' ' VAL . 39.6 mm-40 -100.08 22.63 11.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.57 35.86 0.23 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -28.53 70.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.41 100.1 1.64 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -40.47 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.58 -29.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.446 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -77.78 -50.6 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.559 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 60.6 t -40.84 -29.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.446 ' N ' ' C ' ' A' ' 109' ' ' ALA . 84.6 mt-30 -76.61 -54.37 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.27 -37.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.7 m -64.8 -65.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.666 HD13 ' HG ' ' A' ' 14' ' ' LEU . 6.2 mt -50.12 -53.54 26.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.63 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.76 -26.65 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.483 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -93.11 -57.52 2.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.3 tp -42.31 -62.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.564 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -44.5 -64.78 1.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.2 -41.25 12.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 0.773 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.886 HD11 ' O ' ' A' ' 89' ' ' GLY . 4.2 mt -62.11 -48.6 79.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.11 -35.69 81.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 133' ' ' PRO . 53.0 t -70.78 -51.06 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 14.0 m -45.39 -50.57 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -53.88 -58.86 5.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 41.91 90.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -147.55 -53.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.57 52.42 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.57 1.169 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.1 -57.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.507 ' CE1' ' CE2' ' A' ' 17' ' ' TRP . 2.5 t80 -62.54 162.71 9.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 54.5 mmt-85 -125.74 -47.01 1.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.573 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -67.1 -154.47 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -96.6 144.48 27.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.406 ' HB3' HG13 ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -44.47 -27.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.764 ' HH2' HG11 ' A' ' 20' ' ' VAL . 37.1 m0 -49.67 -52.52 30.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 135' ' ' TRP . 14.9 m-85 -134.32 76.25 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.1 151.35 22.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.49 149.23 9.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.66 166.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -170.36 -147.56 5.6 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.65 4.96 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 19.6 p -177.6 119.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.09 -61.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.68 152.27 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -120.45 135.33 55.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.42 137.49 7.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.83 101.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.794 . . . . 0.0 109.987 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -59.23 130.54 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.967 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.74 69.43 2.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 54.41 172.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.78 -54.59 3.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.66 -61.51 1.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.17 -61.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -41.36 -55.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -61.75 -54.53 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 20.6 mt -41.06 -54.37 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.921 HG13 ' CZ3' ' A' ' 39' ' ' TRP . 47.0 t -61.14 -50.4 80.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.708 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.3 mm-40 -44.64 -26.7 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.498 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.2 t90 -81.65 -59.51 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mt -48.78 -23.44 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' GLY . 38.9 t -71.32 -53.45 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.13 -38.89 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.788 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.0 mm-40 -64.22 -71.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.7 m -61.18 -53.48 56.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.79 176.96 20.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.02 -45.6 1.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -71.15 -30.04 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.14 -143.86 16.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.454 1.097 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -141.74 170.61 8.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.03 160.94 39.47 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -173.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -53.16 171.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.489 ' O ' ' CG ' ' A' ' 33' ' ' ARG . . . -72.41 114.53 4.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.56 ' C ' HD23 ' A' ' 34' ' ' LEU . 3.4 mmt180 159.31 -71.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.56 HD23 ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -144.44 89.65 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.42 -54.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -52.35 -44.41 65.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.76 -49.83 72.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.31 -36.34 71.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.921 ' CZ3' HG13 ' A' ' 15' ' ' VAL . 3.2 t90 -54.53 -38.05 66.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.817 ' O ' HD11 ' A' ' 101' ' ' LEU . 26.1 mt -112.52 43.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 102' ' ' TYR . 41.0 tttt -108.52 -59.86 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -40.5 -51.42 2.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.83 -29.5 11.2 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 68' ' ' PRO . 40.1 t -45.56 -55.06 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 48' ' ' LYS . 6.1 mt -55.91 -58.3 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' A' ' 81' ' ' PHE . 25.3 mt -49.1 -41.54 36.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.428 ' HB3' HG11 ' A' ' 61' ' ' VAL . 63.9 m -66.17 -28.74 69.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.748 ' HE2' HG11 ' A' ' 63' ' ' VAL . 35.4 mttm -76.92 -37.96 54.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HB3' ' A' ' 21' ' ' GLN . 14.4 tp -58.81 -71.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 51' ' ' ASN . 14.0 p -41.74 -47.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 50' ' ' VAL . 2.9 m-20 -58.5 -53.49 57.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 p -43.14 -40.59 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.788 HD21 ' OE1' ' A' ' 21' ' ' GLN . 40.3 mt -65.54 -80.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.557 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 34.1 m-85 -36.49 152.97 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.3 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.788 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 7.0 pt-20 -91.27 -23.29 20.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.81 19.72 28.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -130.98 -69.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.1 mptm? 42.22 85.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -75.0 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.456 1.767 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -89.49 165.41 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.363 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.494 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -130.7 98.79 4.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.748 HG11 ' HE2' ' A' ' 48' ' ' LYS . 50.1 t -73.08 113.96 26.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -48.68 -48.54 39.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.172 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -98.6 152.89 38.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.2 Cg_endo -75.03 -69.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.2 OUTLIER 84.6 -63.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.3 mtt -56.43 153.2 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 83.1 t -57.41 -69.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -44.36 -40.94 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' CB ' ' A' ' 68' ' ' PRO . 34.1 mmtt -68.1 -59.77 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -48.81 -54.23 16.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.33 -49.22 64.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.23 -51.14 70.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -42.56 -47.98 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.12 -50.6 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.62 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -49.56 -41.79 42.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.558 ' CE2' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -74.94 -46.29 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.833 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 37.5 mt -49.72 -62.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -53.09 -40.47 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -43.95 97.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.05 -38.66 68.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -55.2 37.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 88' ' ' TYR . 6.5 m-20 -45.05 -54.33 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 6.2 t80 -37.03 -35.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.421 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 141.93 -14.31 2.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' OD2' ' A' ' 94' ' ' ASP . 76.7 t -48.93 150.77 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.692 HD12 ' OG1' ' A' ' 93' ' ' THR . 14.3 pt -96.46 -171.09 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.16 0.56 34.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.692 ' OG1' HD12 ' A' ' 91' ' ' ILE . 8.4 p -100.26 -12.49 19.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.556 ' OD2' HG13 ' A' ' 90' ' ' VAL . 14.4 p30 -108.57 -12.6 14.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 56.9 mmm -81.28 146.46 30.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.833 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.5 p90 -110.86 -176.65 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' ASP . 8.9 mt-30 -100.91 134.22 44.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.0 m -38.62 -38.27 0.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 100' ' ' ASP . 6.5 p -67.45 -52.1 45.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.508 ' N ' HG13 ' A' ' 99' ' ' VAL . 84.5 m-20 -40.48 -29.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 40' ' ' LEU . 10.8 tp -100.47 -63.36 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.434 ' CE1' ' HE3' ' A' ' 41' ' ' LYS . 22.5 t80 -42.44 -56.56 2.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' LYS . 2.2 mm-40 -99.9 21.58 12.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.99 29.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.2 mmtt -49.83 -28.65 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -160.41 100.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.92 -45.84 69.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -41.56 -48.45 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -58.24 -57.07 14.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.56 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 64.7 t -39.66 -34.97 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -79.05 -50.5 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -43.54 -32.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.1 m -71.72 -66.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.5 mt -47.21 -47.53 24.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -35.03 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.59 -46.67 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 117' ' ' LEU . 13.9 tp -46.16 -58.72 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -56.57 -59.73 10.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.98 -41.45 2.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.497 HD11 ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -55.98 -46.92 78.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.545 ' HB1' ' CD2' ' A' ' 129' ' ' TYR . . . -70.18 -31.07 68.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 133' ' ' PRO . 60.0 t -62.79 -42.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -57.32 -65.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.434 ' CD ' ' O ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -60.82 -56.14 24.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 124' ' ' LYS . 24.2 t-20 76.4 -57.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -94.48 60.97 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.29 -45.67 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 168.98 42.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.776 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.545 ' CD2' ' HB1' ' A' ' 121' ' ' ALA . 0.6 OUTLIER -97.62 126.1 42.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.957 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.405 ' HB3' HG23 ' A' ' 20' ' ' VAL . 6.2 mmt-85 -81.19 -73.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -57.55 -158.38 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.417 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 4.6 m-20 -92.85 146.26 31.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.444 ' O ' HG22 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -75.0 -22.83 14.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -87.78 45.16 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.608 ' HH2' HG11 ' A' ' 20' ' ' VAL . 16.3 m0 -109.05 -42.66 4.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 108.005 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 28.4 m-85 -94.34 -25.57 16.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.98 143.86 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.7 154.57 24.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.74 112.24 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 161.41 -165.93 35.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 154.11 42.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.9 t -118.66 86.3 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.4 p -41.67 127.01 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.2 113.59 14.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -48.35 145.9 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.21 -68.17 0.37 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -84.35 167.78 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 0.73 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t 64.3 123.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.58 152.08 28.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -79.62 158.84 26.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -57.97 10.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD21 ' CE ' ' A' ' 115' ' ' MET . 0.5 OUTLIER -42.38 -64.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 4.3 tt0 -38.75 -56.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.35 -51.39 4.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -66.87 -54.71 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 18' ' ' ILE . 48.7 mt -41.36 -55.45 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG13 ' CH2' ' A' ' 39' ' ' TRP . 87.3 t -59.8 -50.98 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.4 mm-40 -45.24 -26.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.677 ' CZ3' HD21 ' A' ' 49' ' ' LEU . 18.2 t90 -85.35 -68.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.503 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.0 mt -40.95 -27.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' N ' ' C ' ' A' ' 17' ' ' TRP . 10.1 t -65.81 -56.46 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.732 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.4 m -60.49 -46.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.48 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 1.7 mm-40 -55.53 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' HG23 ' A' ' 45' ' ' ILE . 44.6 m -55.0 -52.61 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 112.22 176.88 19.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.59 3.68 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.69 -45.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.7 m -70.5 -32.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.85 -139.95 14.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -142.44 162.36 45.23 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.01 168.14 25.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.08 161.87 13.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -66.17 -176.69 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.53 6.91 89.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.63 -59.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.36 -38.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.34 -49.97 6.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.493 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 36.2 t80 -48.38 -55.26 11.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -42.41 -68.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.6 t -40.46 -43.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CH2' HG13 ' A' ' 15' ' ' VAL . 1.0 OUTLIER -52.83 -52.22 57.9 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.707 ' O ' HD21 ' A' ' 101' ' ' LEU . 11.8 mt -106.0 47.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -99.12 -62.94 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -53.92 -49.57 68.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.4 -17.33 31.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 67' ' ' PRO . 34.7 t -47.05 -60.28 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.565 HG23 ' SG ' ' A' ' 22' ' ' CYS . 68.9 mt -54.7 -47.23 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 40' ' ' LEU . 18.5 mt -52.01 -42.93 63.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.555 ' OG ' HG11 ' A' ' 61' ' ' VAL . 34.9 m -66.52 -36.14 81.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HE2' HG11 ' A' ' 63' ' ' VAL . 18.4 mttm -62.93 -34.39 77.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.677 HD21 ' CZ3' ' A' ' 17' ' ' TRP . 20.8 tp -63.48 -70.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 51' ' ' ASN . 10.9 p -44.12 -48.41 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.0 m-80 -52.33 -56.18 16.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.6 p -43.05 -49.44 6.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 88' ' ' TYR . 65.9 mt -54.18 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 60' ' ' PRO . 26.3 m-85 -35.75 143.55 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 168.7 24.25 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.99 139.2 57.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.29 -38.65 3.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -88.45 45.53 1.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 109.951 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.41 114.15 51.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.551 ' HG3' ' CE1' ' A' ' 54' ' ' TYR . 18.1 Cg_endo -75.03 -59.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG11 ' OG ' ' A' ' 47' ' ' SER . 91.2 t -89.15 154.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -112.53 106.09 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG11 ' HE2' ' A' ' 48' ' ' LYS . 88.6 t -72.27 117.21 56.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.04 32.16 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.94 -66.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -110.81 157.39 38.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.06 141.3 26.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.94 173.59 14.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.67 -48.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.2 mmt -42.46 160.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.672 HG22 ' OH ' ' A' ' 102' ' ' TYR . 76.6 t -73.2 -68.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -39.88 -47.0 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -63.5 -67.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.6 -52.85 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.406 ' CE ' ' CD2' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -53.66 -55.32 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -43.62 -48.36 7.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 82' ' ' LEU . 97.2 t -64.22 -51.62 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.15 -42.62 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -56.1 -46.1 79.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 46' ' ' LEU . 9.2 t80 -72.11 -43.03 65.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.8 mt -52.17 -62.96 1.31 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -53.99 -38.46 65.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.44 96.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -57.21 -49.6 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -47.59 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -49.08 -41.06 34.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.44 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 2.9 t80 -53.61 -52.48 59.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.838 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 146.09 44.42 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.8 t -104.33 131.02 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.745 HD12 ' OG1' ' A' ' 93' ' ' THR . 27.5 pt -56.97 -171.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -3.74 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.745 ' OG1' HD12 ' A' ' 91' ' ' ILE . 79.2 p -102.55 1.12 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HB2' ' CG1' ' A' ' 91' ' ' ILE . 0.4 OUTLIER -112.04 -13.04 13.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.47 139.53 32.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 26.4 p90 -106.82 174.1 6.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.2 mt-30 -92.64 136.81 32.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.5 m -38.85 -37.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.642 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.9 p -68.4 -52.42 37.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.512 ' N ' HG13 ' A' ' 99' ' ' VAL . 94.5 m-20 -39.41 -30.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.707 HD21 ' O ' ' A' ' 40' ' ' LEU . 21.9 tp -100.59 -64.27 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.672 ' OH ' HG22 ' A' ' 71' ' ' VAL . 25.5 t80 -44.58 -53.1 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.642 ' HB2' HG22 ' A' ' 99' ' ' VAL . 10.9 mm-40 -97.65 20.12 12.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.81 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 103' ' ' GLU . 2.4 mtpt -59.7 -31.68 69.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.422 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.8 OUTLIER -150.74 111.39 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.4 mmt -82.29 -52.99 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.58 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -64.69 -56.13 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 101' ' ' LEU . 48.9 t -40.07 -30.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 109' ' ' ALA . 96.3 mt-30 -80.48 -52.82 7.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -34.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.5 m -70.48 -66.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.4 mt -48.68 -47.55 40.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.471 ' CE ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -41.91 -37.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.24 -56.34 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 88' ' ' TYR . 15.0 tp -41.65 -55.83 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -53.29 -66.09 2.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t -45.42 -44.62 12.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.8 mt -55.74 -50.64 69.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.1 74.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.917 HG11 ' HB2' ' A' ' 137' ' ' MET . 35.1 t -67.62 -50.91 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.3 m -41.39 -51.43 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -64.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 42.43 86.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -155.68 -50.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -175.59 63.33 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -142.76 -62.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.58 137.89 29.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 20' ' ' VAL . 6.3 ttt180 -88.29 -36.85 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.576 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -83.43 -113.4 0.55 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.415 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 14.5 m-20 -137.53 150.85 69.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -30.35 7.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -82.31 52.43 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.732 ' HH2' HG11 ' A' ' 20' ' ' VAL . 19.4 m0 -118.01 -63.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 107.989 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -80.0 -57.26 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.917 ' HB2' HG11 ' A' ' 122' ' ' VAL . 3.5 ttt -52.03 153.6 2.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp 51.77 89.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 30.6 t -177.35 113.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 103.61 156.68 24.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.75 35.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.482 1.78 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 t 60.96 163.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.89 124.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -41.15 114.21 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -141.86 130.64 22.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.39 76.29 1.01 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -62.9 149.35 44.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -176.04 162.41 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.95 168.93 11.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.538 1.148 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -54.57 170.02 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -56.97 -64.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.26 -59.83 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.25 -62.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.81 -50.48 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -54.55 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.6 mt -42.56 -56.91 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 19' ' ' VAL . 96.9 t -57.83 -54.57 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 20' ' ' VAL . 6.1 mt-10 -44.36 -29.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.2 t90 -81.24 -53.46 6.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.04 -19.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 15' ' ' VAL . 71.5 t -77.03 -51.26 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.742 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.3 m -68.05 -40.78 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.675 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.8 mm-40 -60.74 -69.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.87 -53.81 44.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 108.297 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.96 175.11 17.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.22 4.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.41 -46.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.4 m -70.74 -31.7 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.27 -142.96 16.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -125.04 172.28 6.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.297 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.587 ' HG3' HG21 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.98 171.59 18.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.12 176.64 9.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 160.37 29.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.49 153.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -47.48 -50.6 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 1.4 mt -40.51 -50.67 2.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.96 -61.9 0.89 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.113 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -37.88 -56.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.757 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.509 ' HG2' HD12 ' A' ' 101' ' ' LEU . 1.8 tm0? -46.62 -48.14 19.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.13 -45.92 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.619 ' CH2' HG13 ' A' ' 15' ' ' VAL . 10.5 t90 -48.82 -36.98 18.0 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.812 ' O ' HD11 ' A' ' 101' ' ' LEU . 13.7 mt -112.42 49.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -107.61 -57.03 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -41.27 -55.81 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.99 -37.48 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.854 HG13 ' CG2' ' A' ' 63' ' ' VAL . 77.6 t -43.12 -50.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.796 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.4 mt -57.49 -58.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 46' ' ' LEU . 23.9 mt -50.68 -50.71 54.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -57.23 -37.16 71.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HG3' HG21 ' A' ' 63' ' ' VAL . 23.0 mttm -64.29 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.651 HD12 ' HB3' ' A' ' 21' ' ' GLN . 24.2 tp -57.48 -73.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 51' ' ' ASN . 14.2 p -43.91 -47.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.8 m-80 -53.96 -54.99 31.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -45.52 -41.86 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.937 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.772 HD22 ' OD1' ' A' ' 128' ' ' ASN . 84.2 mt -60.62 -85.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.576 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 58.9 m-85 -36.34 153.61 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.26 39.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 59' ' ' LYS . 3.9 pt-20 -57.17 -37.18 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.19 37.69 3.1 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.9 m -174.31 44.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 56' ' ' GLU . 1.4 mptm? -75.32 113.88 30.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.576 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.02 -69.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 80' ' ' GLN . 46.7 t -81.78 163.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 61' ' ' VAL . 49.5 mttt -125.07 99.77 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.854 ' CG2' HG13 ' A' ' 44' ' ' VAL . 2.5 p -98.51 114.32 65.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.69 32.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.87 -57.52 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -84.83 145.76 44.68 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.49 ' HA ' HG21 ' A' ' 44' ' ' VAL . 18.4 Cg_endo -75.02 147.77 34.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HD3' ' CG2' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.04 139.15 23.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.91 -51.08 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.53 132.67 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.713 HG13 ' OH ' ' A' ' 102' ' ' TYR . 72.6 t -54.01 -61.64 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -39.11 -54.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.07 -65.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -39.77 -61.73 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 11.5 mtp -44.57 -45.23 9.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -50.54 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.562 ' OE1' HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -38.95 -45.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' PHE . 89.2 t -69.18 -56.18 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.53 -45.19 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.466 ' CB ' HG13 ' A' ' 61' ' ' VAL . 69.9 mt-30 -53.23 -45.51 68.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.5 t80 -71.08 -45.76 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.039 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.7 mt -47.56 -59.15 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -57.55 -40.08 78.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.36 84.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -65.63 -49.64 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.14 -45.3 61.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -45.37 78.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.523 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.8 t80 -42.53 -30.31 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.821 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 120.83 36.08 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.0 t -91.87 157.54 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 93' ' ' THR . 38.2 pt -76.04 -175.83 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.79 -5.79 17.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 91' ' ' ILE . 12.0 p -99.63 1.2 43.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.637 ' OD1' HD11 ' A' ' 91' ' ' ILE . 6.2 m-20 -109.23 -21.4 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.99 142.75 58.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 1.039 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 38.3 p90 -116.17 174.52 6.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -93.45 141.82 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 m -47.33 -35.75 8.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.444 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.3 m -69.17 -45.71 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.421 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 70.3 m-20 -44.37 -27.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 ' O ' ' A' ' 40' ' ' LEU . 35.9 tp -104.66 -61.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.713 ' OH ' HG13 ' A' ' 71' ' ' VAL . 9.7 t80 -47.08 -53.38 12.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLY . 2.8 mm-40 -99.17 18.37 17.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.23 42.79 0.89 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -71.52 -31.29 66.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -153.13 90.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 107' ' ' MET . 0.7 OUTLIER -74.04 -45.39 49.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 107' ' ' MET . . . -47.44 -37.76 12.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -67.79 -52.9 31.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 101' ' ' LEU . 51.6 t -39.4 -37.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' ARG . 45.1 mt-30 -69.51 -51.59 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' ALA . 1.7 ttm180 -38.29 -34.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.443 HG21 ' HE1' ' A' ' 96' ' ' PHE . 1.3 m -75.38 -56.73 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.4 mt -52.22 -50.69 61.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -40.8 3.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.51 -51.69 14.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.523 HD12 ' CD2' ' A' ' 88' ' ' TYR . 20.4 tp -47.65 -45.34 27.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -61.39 -65.37 3.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -48.94 9.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.821 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.5 mt -53.72 -48.42 69.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.51 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -68.32 -22.2 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 118' ' ' GLY . 60.3 t -78.65 -58.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.2 m -46.81 -33.4 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -57.29 -50.32 73.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 63.21 101.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.355 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 60.58 52.22 4.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -118.27 -35.78 0.99 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.772 ' OD1' HD22 ' A' ' 53' ' ' LEU . 9.7 p30 -163.27 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' ASN . 1.2 t80 -37.07 155.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.9 -47.62 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.238 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.74 -148.47 0.9 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.27 137.76 22.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.674 ' HB2' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.95 -34.45 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -51.17 -22.72 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.742 ' HH2' HG11 ' A' ' 20' ' ' VAL . 22.8 m0 -51.74 -36.43 47.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.563 ' O ' HG21 ' A' ' 122' ' ' VAL . 11.5 m-85 -140.43 78.96 1.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -47.04 18.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 160.05 14.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.8 p -118.71 -61.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -156.6 -150.82 5.77 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.72 7.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.5 t -111.02 108.58 18.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.19 149.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.957 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -174.23 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 0.776 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -144.38 123.66 13.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.08 159.88 22.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 p -164.76 128.4 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.61 -59.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.42 178.63 41.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.08 160.67 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.27 -19.75 56.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.692 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -85.61 -48.83 8.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 5.1 tt0 -57.15 -45.91 83.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 1.6 mm-40 -38.6 -50.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -56.66 17.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -40.84 -54.25 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.712 HG13 ' CH2' ' A' ' 39' ' ' TRP . 22.0 t -66.39 -62.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.713 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.4 mt-10 -41.02 -34.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.5 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 19.8 t90 -74.43 -61.39 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 14' ' ' LEU . 8.6 mt -45.77 -27.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.48 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 47.9 t -68.51 -53.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.1 m -69.79 -36.38 69.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.592 ' HB3' HD12 ' A' ' 49' ' ' LEU . 3.2 mm-40 -65.22 -68.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.8 -51.57 54.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.48 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 118.5 175.45 16.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 55.1 3.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -126.07 -51.09 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.9 m -64.3 -30.92 51.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.59 -149.35 21.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -130.65 170.68 10.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.1 Cg_endo -74.99 157.47 42.78 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.28 -172.58 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.33 158.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -63.39 -154.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.753 ' C ' HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 68.36 -64.8 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 0.745 . . . . 0.0 110.325 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.753 HD23 ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -150.54 91.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.36 -67.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 40' ' ' LEU . 55.2 t80 -46.77 -50.32 18.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.773 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -48.56 -44.74 36.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.6 t -73.82 -35.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.712 ' CH2' HG13 ' A' ' 15' ' ' VAL . 7.3 t90 -54.8 -44.7 74.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.825 ' O ' HD21 ' A' ' 101' ' ' LEU . 13.0 mt -107.68 43.79 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.3 tttt -103.2 -53.4 2.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 74' ' ' GLN . 0.8 OUTLIER -47.0 -55.23 8.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 110.05 -30.65 8.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.0 t -47.79 -45.4 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -54.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.354 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 81' ' ' PHE . 20.6 mt -50.2 -50.36 49.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.516 ' HB3' HG11 ' A' ' 61' ' ' VAL . 73.7 m -61.34 -34.82 75.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.05 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' A' ' 52' ' ' SER . 18.8 mttm -67.42 -35.93 80.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 21' ' ' GLN . 30.8 tp -57.21 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 53' ' ' LEU . 11.3 p -41.82 -49.32 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' HG13 ' A' ' 50' ' ' VAL . 1.7 m-80 -46.22 -60.03 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -41.64 -52.34 3.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.03 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 50' ' ' VAL . 34.4 mt -51.25 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 42.5 m-85 -45.81 136.32 6.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 58' ' ' SER . 18.1 Cg_endo -75.03 -176.17 2.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 1.6 mt-10 -63.02 136.04 57.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.97 -12.43 57.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' LYS . 6.8 t -98.71 -27.51 13.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -37.72 108.21 0.42 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.496 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 47' ' ' SER . 60.6 t -80.8 162.2 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.44 ' N ' HG12 ' A' ' 61' ' ' VAL . 7.0 mttm -131.86 97.08 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.8 t -64.33 112.28 7.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.72 34.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.12 -61.13 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -87.6 129.12 52.11 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 149.77 37.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.08 -45.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -61.82 138.86 58.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.698 HG13 ' H ' ' A' ' 72' ' ' PHE . 0.9 OUTLIER -43.2 -70.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.698 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.1 m-85 -50.85 -20.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.3 mmtp -82.72 -70.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' MET . 69.4 mt-30 -50.68 -42.99 57.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -44.37 36.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.71 -42.51 88.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -52.03 -48.2 64.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.562 HG11 HD23 ' A' ' 101' ' ' LEU . 38.8 t -72.73 -39.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.32 -49.1 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' HB3' HG22 ' A' ' 61' ' ' VAL . 77.0 mt-30 -51.25 -46.7 62.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' HD22 ' A' ' 46' ' ' LEU . 2.3 t80 -69.46 -43.4 73.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 34.9 mt -50.81 -54.77 20.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -59.62 -39.5 84.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.58 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -57.37 -46.13 83.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.35 -53.81 52.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.71 -39.72 5.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.409 ' CD2' HD12 ' A' ' 117' ' ' LEU . 3.0 t80 -52.71 -50.48 63.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.892 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 141.71 44.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.473 HG22 HD12 ' A' ' 120' ' ' LEU . 78.4 t -104.86 132.25 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.456 ' CG1' ' HB2' ' A' ' 94' ' ' ASP . 10.1 pt -56.11 -176.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.44 -1.45 24.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.8 p -103.99 -1.29 27.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.572 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -107.73 -18.04 13.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 59.3 mmm -80.52 139.14 36.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 54.2 p90 -103.02 176.72 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.2 mt-30 -96.87 135.33 39.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.0 m -36.92 -44.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.8 p -60.95 -52.57 60.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.522 ' N ' HG13 ' A' ' 99' ' ' VAL . 73.3 m-20 -41.12 -29.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.825 HD21 ' O ' ' A' ' 40' ' ' LEU . 16.7 tp -96.68 -63.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.576 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 6.6 t80 -46.96 -54.25 10.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.566 ' HB2' HG22 ' A' ' 99' ' ' VAL . 32.5 mm-40 -83.14 -17.57 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 68.95 27.92 73.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -59.29 -68.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.76 100.21 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.22 -46.2 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.32 -37.12 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 96' ' ' PHE . . . -67.92 -55.89 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 96' ' ' PHE . 78.0 t -40.58 -29.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 109' ' ' ALA . 77.6 mt-30 -84.3 -52.67 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -34.9 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.402 HG23 ' SD ' ' A' ' 95' ' ' MET . 27.7 m -67.72 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.449 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.414 ' CB ' ' HG ' ' A' ' 14' ' ' LEU . 17.0 mt -51.91 -45.45 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.692 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -47.19 -37.07 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.572 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -84.81 -48.94 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.409 HD12 ' CD2' ' A' ' 88' ' ' TYR . 13.6 tp -45.82 -62.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.5 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.65 -61.01 6.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.51 -44.07 17.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.892 HD11 ' O ' ' A' ' 89' ' ' GLY . 1.5 mt -52.27 -49.55 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.56 72.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.428 HG23 ' CE2' ' A' ' 129' ' ' TYR . 39.8 t -71.88 -46.75 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.1 m -54.35 -42.66 70.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -48.94 -95.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 125' ' ' ASN . 9.1 p-10 -170.36 42.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.0 t0 43.78 30.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.13 -70.95 1.12 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -69.93 -43.59 71.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.784 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.428 ' CE2' HG23 ' A' ' 122' ' ' VAL . 2.0 t80 -45.22 129.74 7.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -86.44 -56.91 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.563 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -57.9 -157.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.412 ' HB2' ' NE1' ' A' ' 135' ' ' TRP . 0.4 OUTLIER -94.2 156.54 38.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.9 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -81.74 53.17 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.699 ' HH2' HG11 ' A' ' 20' ' ' VAL . 10.8 m0 -114.52 -57.46 2.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -82.71 -33.37 27.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.5 mmm -103.0 93.01 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.27 136.43 15.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.75 121.19 25.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.056 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -146.05 172.54 26.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.16 21.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.59 145.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.94 123.95 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 -179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p -91.29 75.96 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 0.731 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.52 -62.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.03 -112.82 0.68 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.28 164.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 m -44.21 161.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.87 -56.61 2.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.38 169.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -49.81 -36.15 25.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.846 HD13 ' SD ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -47.56 -53.56 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' OE2' ' CD2' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -66.04 -60.76 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 2.5 mt-10 -38.46 -48.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -53.53 56.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD23 ' HZ ' ' A' ' 136' ' ' PHE . 27.1 mt -41.4 -55.41 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.756 HG13 ' CH2' ' A' ' 39' ' ' TRP . 61.1 t -59.93 -53.91 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.751 ' O ' HG13 ' A' ' 20' ' ' VAL . 13.7 mt-10 -46.31 -29.49 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.573 ' CD1' ' NE2' ' A' ' 21' ' ' GLN . 5.9 t90 -78.72 -65.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.489 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.6 mt -45.18 -25.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 15' ' ' VAL . 25.6 t -69.23 -49.31 62.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.751 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.59 -39.93 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.573 ' NE2' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -60.3 -71.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 77.1 m -62.63 -48.45 79.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 108.312 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 111.26 179.25 20.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 54.9 3.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.77 -45.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.76 -24.57 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.25 -140.33 17.48 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.147 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -148.34 165.26 18.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.516 ' CD ' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 167.66 26.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -92.97 172.67 8.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 171.34 7.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.38 159.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.556 1.16 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -57.03 179.37 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 0.802 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER 77.74 -55.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -37.66 -63.34 0.86 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.435 1.085 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.457 ' CD2' ' OE2' ' A' ' 11' ' ' GLU . 41.4 t80 -52.86 -51.06 62.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.2 tt0 -47.4 -58.67 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 84.8 t -54.4 -43.05 61.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.756 ' CH2' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -49.91 -42.62 48.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.772 ' O ' HD11 ' A' ' 101' ' ' LEU . 55.4 mt -109.57 44.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 38' ' ' VAL . 23.1 tttt -107.95 -58.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.1 -58.52 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.58 -38.77 2.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.639 HG22 ' OE1' ' A' ' 77' ' ' GLN . 48.3 t -42.29 -55.3 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.558 0.799 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mt -51.25 -61.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 29.1 mt -44.53 -52.04 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.8 m -57.47 -40.35 78.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.812 ' HG3' HG21 ' A' ' 63' ' ' VAL . 18.7 mttt -65.2 -34.78 79.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.9 tp -57.16 -74.49 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 51' ' ' ASN . 7.4 p -44.91 -48.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.469 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.6 m-80 -54.57 -55.22 31.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 p -46.96 -52.01 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 32.9 mt -53.66 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 10.7 m-85 -34.94 149.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 176.03 10.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.83 141.19 56.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -41.08 3.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.3 m -85.36 47.71 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -85.85 113.6 52.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.0 -61.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 81' ' ' PHE . 61.2 t -91.41 148.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 100.44 9.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.812 HG21 ' HG3' ' A' ' 48' ' ' LYS . 2.6 p -94.6 116.09 66.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.72 43.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.571 1.827 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.89 -58.16 8.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -77.51 133.6 67.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.01 149.72 37.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.1 Cg_endo -74.98 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.06 -58.68 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.4 mtt -46.14 148.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.8 t -58.52 -64.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -43.71 -42.28 5.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -63.52 -64.24 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -49.13 -52.74 24.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -50.92 56.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 77' ' ' GLN . 0.7 OUTLIER -57.05 -53.1 61.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.639 ' OE1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -38.84 -48.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.245 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.62 -55.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.53 -48.8 5.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HB3' HG13 ' A' ' 61' ' ' VAL . 72.9 mt-30 -50.95 -44.72 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -71.82 -44.1 64.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.746 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 48.9 mt -51.37 -60.91 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -54.78 -41.28 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.19 95.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 88' ' ' TYR . . . -52.2 -49.51 63.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 89' ' ' GLY . 0.7 OUTLIER -47.98 -60.85 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -39.73 -50.77 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 6.0 t80 -41.84 -40.8 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' GLU . . . 149.22 -19.16 1.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.894 HG13 ' OD2' ' A' ' 94' ' ' ASP . 72.4 t -43.72 141.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.762 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.794 HD12 ' OG1' ' A' ' 93' ' ' THR . 31.3 pt -79.16 -168.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -10.56 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.794 ' OG1' HD12 ' A' ' 91' ' ' ILE . 33.0 p -93.45 -1.08 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.437 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.894 ' OD2' HG13 ' A' ' 90' ' ' VAL . 24.0 p-10 -112.43 -19.01 12.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.469 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 32.9 mmm -71.57 143.63 49.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.746 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 17.3 p90 -114.88 179.62 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.5 mt-30 -96.39 138.24 34.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' GLN . 53.4 m -38.42 -37.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 100' ' ' ASP . 6.0 p -66.67 -51.62 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.506 ' N ' HG13 ' A' ' 99' ' ' VAL . 92.5 m-20 -39.84 -29.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.772 HD11 ' O ' ' A' ' 40' ' ' LEU . 19.7 tp -102.9 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.596 ' CD2' ' OE2' ' A' ' 103' ' ' GLU . 23.9 t80 -41.05 -52.81 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.596 ' OE2' ' CD2' ' A' ' 102' ' ' TYR . 40.8 mm-40 -107.61 28.2 8.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 35.67 33.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.456 ' CB ' ' HA ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -50.17 -26.12 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.55 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -170.01 101.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.413 ' HE3' ' HG3' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -73.97 -32.49 63.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.18 -47.6 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 111' ' ' GLN . . . -69.63 -51.45 34.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.571 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 78.5 t -39.5 -31.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.5 ' NE2' HD21 ' A' ' 10' ' ' LEU . 38.5 mt-30 -80.53 -54.35 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.15 -36.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -67.9 -63.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.92 -51.83 64.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.846 ' SD ' HD13 ' A' ' 10' ' ' LEU . 59.9 mmm -45.23 -30.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.49 -42.41 16.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 117' ' ' LEU . 14.3 tp -52.99 -60.53 3.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.17 -65.7 2.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.92 -42.81 13.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mt -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.417 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -66.07 -32.21 73.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.913 HG13 ' CB ' ' A' ' 133' ' ' PRO . 38.9 t -72.61 -46.9 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m -48.84 -56.37 8.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -54.14 -70.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 t30 57.03 93.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.4 -52.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 170.9 48.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 111.046 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.27 -52.42 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -66.51 96.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -63.81 -27.72 69.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.475 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -81.49 -161.1 26.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.53 139.33 20.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.913 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.4 Cg_endo -74.97 -33.13 4.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -21.15 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.596 ' HH2' HG11 ' A' ' 20' ' ' VAL . 20.2 m0 -52.63 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.038 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.692 ' HZ ' HD23 ' A' ' 14' ' ' LEU . 79.1 m-85 -88.54 -35.33 17.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.431 ' HB2' HG11 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -58.29 104.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -91.26 126.97 36.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.6 p -86.56 162.12 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 155.54 158.41 8.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 58.54 4.9 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.19 132.34 14.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 74.9 m -101.6 118.28 36.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -133.49 119.68 19.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.6 160.84 20.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.71 159.08 28.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.99 165.83 22.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 m -144.32 144.53 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.52 165.4 1.42 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.1 mt-10 -80.71 171.05 15.51 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 0.769 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -46.44 -60.44 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -63.45 -52.13 62.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -51.33 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 3.0 mm-40 -41.07 -48.85 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 -62.34 -54.11 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 25.2 mt -40.89 -53.84 2.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.83 HG13 ' CH2' ' A' ' 39' ' ' TRP . 57.7 t -61.34 -53.35 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.769 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.3 mm-40 -43.32 -28.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 22.0 t90 -79.91 -64.55 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 107.995 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.4 mt -42.72 -27.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 42.9 t -69.2 -50.87 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -66.09 -38.58 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.693 ' OE1' HD21 ' A' ' 53' ' ' LEU . 3.9 mm-40 -66.56 -71.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.8 m -60.63 -52.64 64.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.311 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 116.87 178.51 17.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.97 3.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.31 -51.2 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 45' ' ' ILE . 15.4 m -63.23 -32.58 56.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.94 -148.43 25.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -115.31 172.86 3.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.546 ' HD3' HG11 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.99 145.2 31.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.29 152.24 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.75 172.63 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.87 165.95 6.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -58.24 173.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER 52.78 20.87 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.83 -65.09 2.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' GLN . 30.3 t80 -47.29 -60.76 2.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.755 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG2' HD12 ' A' ' 101' ' ' LEU . 1.2 tm0? -37.86 -58.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 34' ' ' LEU . 69.0 t -56.01 -50.16 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.83 ' CH2' HG13 ' A' ' 15' ' ' VAL . 9.7 t90 -46.12 -38.24 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.817 ' O ' HD11 ' A' ' 101' ' ' LEU . 68.7 mt -113.02 52.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -111.22 -58.97 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -40.05 -52.99 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.66 -28.62 11.14 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.7 t -49.05 -57.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.405 HG23 HG11 ' A' ' 26' ' ' VAL . 40.8 mt -53.13 -51.21 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.612 HD11 HD21 ' A' ' 101' ' ' LEU . 33.3 mt -55.3 -45.31 76.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.581 ' HB2' HG11 ' A' ' 61' ' ' VAL . 26.0 p -61.9 -35.14 77.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HE2' HG11 ' A' ' 63' ' ' VAL . 22.6 mttm -66.12 -49.12 68.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 21' ' ' GLN . 18.3 tp -51.98 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 51' ' ' ASN . 11.2 p -40.95 -50.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.466 ' N ' HG13 ' A' ' 50' ' ' VAL . 5.0 m-80 -51.6 -54.15 30.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 128' ' ' ASN . 1.5 p -43.2 -49.94 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' OE1' ' A' ' 21' ' ' GLN . 76.3 mt -56.55 -66.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 21.7 m-85 -47.0 151.08 1.19 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -169.11 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.77 -34.16 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.46 40.7 3.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.56 -71.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? 40.0 84.01 0.19 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -54.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.581 HG11 ' HB2' ' A' ' 47' ' ' SER . 49.0 t -94.23 162.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.448 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -112.97 132.54 55.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.575 HG11 ' HE2' ' A' ' 48' ' ' LYS . 21.3 t -112.79 109.07 53.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 179.78 5.74 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.42 -56.35 7.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -111.91 152.53 44.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.97 141.04 26.25 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.01 -178.95 4.53 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 p -131.15 -45.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -42.82 160.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.7 t -73.0 -64.84 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -38.29 -51.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -68.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -41.23 -56.91 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 mtp -53.41 -52.74 58.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -53.62 30.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -40.15 -58.24 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.37 -57.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.71 4.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.441 ' HB3' HG22 ' A' ' 61' ' ' VAL . 61.4 mt-30 -49.44 -48.99 47.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -44.96 81.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.511 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.3 mt -49.07 -62.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -45.7 33.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.95 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -46.25 -51.9 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.57 -56.22 21.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -41.8 -43.86 3.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.608 ' CZ ' HD13 ' A' ' 53' ' ' LEU . 2.7 t80 -51.21 -52.42 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.868 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 144.84 42.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.1 t -103.42 137.63 31.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.42 ' CG1' ' OD2' ' A' ' 94' ' ' ASP . 6.5 pt -69.56 167.77 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -86.09 -1.01 56.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.61 -9.72 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' ' CG1' ' A' ' 91' ' ' ILE . 37.2 m-20 -102.19 -20.41 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 35.2 mmm -74.79 155.08 37.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 24.4 p90 -126.63 175.45 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 100' ' ' ASP . 6.8 mt-30 -91.2 132.08 36.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.8 m -38.59 -37.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.565 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.8 p -69.2 -51.85 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.499 ' N ' HG13 ' A' ' 99' ' ' VAL . 85.1 m-20 -39.85 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.817 HD11 ' O ' ' A' ' 40' ' ' LEU . 23.1 tp -99.51 -64.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -43.29 -48.53 6.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.565 ' HB2' HG22 ' A' ' 99' ' ' VAL . 27.8 mm-40 -87.6 -33.76 18.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.76 18.46 47.77 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.135 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -52.77 -58.65 6.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -120.62 97.87 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 107' ' ' MET . 1.1 tpp -79.26 -42.02 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.51 -37.33 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 112' ' ' ARG . . . -68.57 -52.54 30.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.622 HG11 HD13 ' A' ' 101' ' ' LEU . 84.3 t -39.43 -33.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -75.06 -52.21 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER -40.7 -34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.2 m -67.99 -69.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.9 mt -47.02 -47.81 22.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.468 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -43.56 -40.16 3.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 111.068 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.1 -46.99 15.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.5 tp -51.53 -55.94 16.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.561 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -45.72 -69.77 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -45.74 -43.32 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.744 . . . . 0.0 109.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.868 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.1 mt -55.97 -44.93 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.96 -32.37 70.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 133' ' ' PRO . 64.2 t -63.33 -38.23 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 21.9 m -69.61 -64.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.7 -77.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 61.1 t30 51.38 89.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -130.11 -56.94 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -173.47 48.96 0.16 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.42 ' CB ' ' HA ' ' A' ' 53' ' ' LEU . 7.2 m-80 -148.81 -49.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.477 ' OH ' ' CA ' ' A' ' 132' ' ' ASP . 1.4 t80 -67.94 122.75 18.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 13.5 mmm180 -128.2 45.35 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.458 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -129.14 -153.46 7.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.477 ' CA ' ' OH ' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -116.66 154.74 49.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.442 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.91 -44.96 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -49.17 -34.86 15.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.737 ' HH2' HG11 ' A' ' 20' ' ' VAL . 36.5 m0 -44.46 -50.92 9.15 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.512 ' CD1' ' HB3' ' A' ' 135' ' ' TRP . 44.4 m-85 -149.02 81.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.3 ttt -105.64 106.86 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -111.78 173.32 6.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.77 149.49 50.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -142.95 -178.76 19.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.29 20.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 47.9 81.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.74 145.58 49.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m 61.67 153.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -173.39 130.45 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.6 -124.98 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.99 169.75 17.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 0.78 . . . . 0.0 110.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -56.71 164.12 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.72 -167.55 25.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -80.46 156.18 26.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.1 -57.76 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.929 HD21 ' HG2' ' A' ' 115' ' ' MET . 0.4 OUTLIER -41.53 -70.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.94 -54.34 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.63 -51.27 12.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -58.13 9.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.788 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -40.42 -54.89 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 69.4 t -67.01 -63.85 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.764 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.8 mt-10 -38.45 -33.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.488 ' CH2' ' HA2' ' A' ' 118' ' ' GLY . 24.4 t90 -76.93 -67.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.061 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.788 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.9 mt -41.4 -28.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 17' ' ' TRP . 29.4 t -65.98 -53.84 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.764 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.46 -35.9 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.602 ' HB3' HD12 ' A' ' 49' ' ' LEU . 3.1 mm-40 -68.8 -65.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.96 -53.51 54.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 114.06 173.83 18.42 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 54.41 3.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.99 -45.64 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.264 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.3 -27.9 33.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.44 -150.44 20.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.474 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -137.53 157.78 73.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.99 173.48 14.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.64 -162.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 162.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.48 110.12 3.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -177.36 -68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 35' ' ' GLY . 15.9 mt -135.02 -44.18 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -29.19 -58.05 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -40.08 -57.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -43.27 -58.67 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.8 -47.27 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.43 ' CZ3' HG22 ' A' ' 15' ' ' VAL . 4.8 t90 -44.67 -39.92 5.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.8 ' O ' HD11 ' A' ' 101' ' ' LEU . 20.7 mt -112.87 50.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASN . 69.8 tttt -108.02 -66.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.423 ' ND2' HE22 ' A' ' 74' ' ' GLN . 1.9 m120 -39.85 -56.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' CA ' HG22 ' A' ' 78' ' ' VAL . . . 112.21 -19.5 22.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.792 HG13 ' CG2' ' A' ' 63' ' ' VAL . 53.8 t -51.83 -51.98 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.84 -56.51 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.512 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 19.7 mt -47.05 -49.51 21.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 m -58.77 -36.79 74.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG3' HG21 ' A' ' 63' ' ' VAL . 24.5 mttm -66.22 -30.47 70.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' A' ' 21' ' ' GLN . 18.4 tp -62.99 -72.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.692 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.1 p -46.7 -40.82 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -56.94 -58.77 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 49' ' ' LEU . 54.1 p -52.45 -40.09 61.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 50' ' ' VAL . 76.2 mt -55.51 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 14.6 m-85 -36.07 151.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 151.44 39.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.441 1.758 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -47.99 155.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.62 -45.62 3.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' LYS . 18.6 t -57.92 -68.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 40.03 85.18 0.17 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -75.01 -53.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.4 t -90.78 155.63 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -120.39 98.33 6.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.792 ' CG2' HG13 ' A' ' 44' ' ' VAL . 6.7 p -99.48 113.85 65.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.59 23.32 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.9 -59.59 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 41.2 p-10 -76.94 132.22 71.61 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -74.98 138.58 23.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.97 -174.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.69 -152.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 74' ' ' GLN . 9.8 mtt 54.83 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.494 HG13 ' HE2' ' A' ' 102' ' ' TYR . 95.0 t -82.35 -65.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -42.16 -45.5 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -68.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 70' ' ' MET . 11.3 mm-40 -42.29 -54.95 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.457 ' SD ' HG22 ' A' ' 98' ' ' THR . 24.9 mmm -46.61 -49.05 19.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.52 -50.51 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -40.8 -60.93 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.495 HG22 ' CA ' ' A' ' 43' ' ' GLY . 98.3 t -61.14 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.46 -46.58 13.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -53.03 -45.56 68.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CZ ' HD22 ' A' ' 46' ' ' LEU . 3.7 t80 -70.68 -44.58 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 26.5 mt -49.06 -69.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -44.54 -40.77 5.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.87 -42.63 99.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 82' ' ' LEU . . . -49.71 -52.65 29.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.17 -48.68 61.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -48.23 -42.4 30.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.496 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 2.6 t80 -54.17 -48.68 70.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.846 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 140.3 44.48 0.07 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 91' ' ' ILE . 40.5 t -104.1 129.42 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.481 HD11 ' OD1' ' A' ' 94' ' ' ASP . 9.3 pt -53.39 -173.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 17.3 tttt -103.49 -16.22 15.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.6 p -89.98 -1.88 58.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.648 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 1.2 m-20 -104.52 -23.32 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 44.2 mmm -74.95 137.77 41.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 110' ' ' VAL . 51.8 p90 -111.08 -179.13 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' THR . 1.7 mt-30 -96.1 135.63 37.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.457 HG22 ' SD ' ' A' ' 75' ' ' MET . 42.2 m -37.68 -48.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' A' ' 103' ' ' GLU . 9.5 p -56.91 -52.82 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.521 ' N ' HG13 ' A' ' 99' ' ' VAL . 18.2 m-20 -39.14 -31.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.8 HD11 ' O ' ' A' ' 40' ' ' LEU . 18.9 tp -99.36 -61.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.494 ' HE2' HG13 ' A' ' 71' ' ' VAL . 3.8 t80 -45.57 -58.17 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 99' ' ' VAL . 46.4 mm-40 -93.75 17.78 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 36.27 41.14 0.47 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -67.42 -33.3 74.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 100.45 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.38 -39.17 21.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.81 -32.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.409 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -82.22 -49.83 9.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.575 HG11 HD13 ' A' ' 101' ' ' LEU . 75.4 t -41.78 -29.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 109' ' ' ALA . 91.2 mt-30 -78.1 -51.65 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -32.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -70.23 -55.9 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.548 HD13 ' HG ' ' A' ' 14' ' ' LEU . 17.4 mt -58.84 -52.09 67.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.929 ' HG2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -43.45 -27.76 0.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.648 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -93.58 -43.27 8.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.421 ' HA ' HD12 ' A' ' 117' ' ' LEU . 12.2 tp -55.14 -58.52 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 136' ' ' PHE . . . -51.8 -63.46 4.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -47.85 -38.18 15.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.846 HD11 ' O ' ' A' ' 89' ' ' GLY . 2.8 mt -59.21 -43.3 92.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.22 75.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 133' ' ' PRO . 46.1 t -65.86 -46.93 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' LYS . 18.4 m -56.4 -57.58 11.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' THR . 42.5 mttt -40.2 -57.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 46.8 t30 40.38 68.53 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.36 -46.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.33 67.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.457 ' N ' ' ND2' ' A' ' 128' ' ' ASN . 0.2 OUTLIER -128.29 -66.47 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 131' ' ' GLY . 0.0 OUTLIER -84.34 -171.38 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 131' ' ' GLY . 19.4 mmt180 -120.53 -52.64 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.621 ' CA ' HG21 ' A' ' 20' ' ' VAL . . . -36.64 135.86 0.63 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.559 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 33.8 m-20 -51.09 150.9 5.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.466 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 18.2 Cg_endo -75.05 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -78.41 54.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.7 ' HH2' HG11 ' A' ' 20' ' ' VAL . 10.9 m0 -117.1 -68.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.029 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.509 ' CZ ' ' HA3' ' A' ' 118' ' ' GLY . 63.7 m-85 -68.41 -37.01 79.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.9 mtm -64.96 162.18 17.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.65 93.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 9.3 p -138.25 -59.82 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 166.27 -177.01 41.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.812 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.47 147.48 45.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.66 151.79 21.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m 59.14 155.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.04 125.07 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.86 63.7 0.85 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -171.94 144.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 0.0 109.952 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -55.84 98.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.44 114.65 1.91 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -73.61 145.54 45.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.35 -57.97 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -46.29 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.62 -56.74 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -54.42 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.6 HD11 HD22 ' A' ' 10' ' ' LEU . 66.1 mt -41.85 -57.07 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 19' ' ' VAL . 88.2 t -59.21 -51.1 76.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.704 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.8 mm-40 -51.66 -25.56 7.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.552 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 21.3 t90 -82.36 -57.91 3.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -49.16 -23.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 15' ' ' VAL . 34.8 t -72.29 -54.31 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.3 m -65.95 -39.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.552 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -59.99 -71.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 m -63.49 -54.23 39.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.96 174.76 16.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.428 1.08 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 54.62 3.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.54 -44.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.32 -29.92 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.63 -151.2 20.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -132.17 160.48 67.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.04 165.91 30.27 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER -77.8 -161.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' CD ' ' HB2' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -48.88 178.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.39 100.19 2.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HB2' ' CD ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER 178.22 -68.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.332 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 35' ' ' GLY . 10.5 mt -120.29 -39.86 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.52 -70.48 0.16 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -39.08 -54.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.749 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 102' ' ' TYR . 1.7 tm0? -50.69 -49.31 57.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.56 -49.04 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.466 ' CB ' ' HB3' ' A' ' 29' ' ' PRO . 13.6 t90 -49.45 -30.17 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 107.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.821 ' O ' HD21 ' A' ' 101' ' ' LEU . 28.9 mt -114.55 37.12 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -104.55 -53.07 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.643 ' OD1' HG23 ' A' ' 44' ' ' VAL . 27.5 t-20 -45.43 -54.07 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.86 -25.52 26.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.643 HG23 ' OD1' ' A' ' 42' ' ' ASN . 4.7 t -49.74 -50.31 18.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.62 -47.41 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 81' ' ' PHE . 18.1 mt -53.17 -46.43 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.4 m -61.21 -40.29 93.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -63.93 -38.85 92.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 21' ' ' GLN . 14.0 tp -57.45 -73.94 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 51' ' ' ASN . 9.8 p -42.97 -47.51 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.425 ' N ' HG13 ' A' ' 50' ' ' VAL . 9.2 m-80 -57.69 -45.86 85.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.088 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.3 p -43.86 -45.87 7.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD13 ' OH ' ' A' ' 88' ' ' TYR . 93.1 mt -59.09 -85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 44.3 m-85 -36.27 153.6 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.44 -59.26 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.27 52.82 3.79 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -175.79 37.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.31 114.15 42.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.98 -61.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 81' ' ' PHE . 61.2 t -88.63 161.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 61' ' ' VAL . 2.0 mppt? -126.2 101.47 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 63' ' ' VAL . 2.4 p -89.23 114.73 61.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.28 -49.87 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -81.93 125.99 76.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.2 Cg_endo -75.0 139.4 24.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -75.0 -165.66 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.58 -65.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.969 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.501 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -38.58 122.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.971 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.719 HG13 ' H ' ' A' ' 72' ' ' PHE . 1.2 p -42.23 -69.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.719 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.3 m-30 -47.3 -23.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 2.1 mmtt -85.58 -57.26 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' MET . 30.2 mt-30 -56.53 -45.36 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.517 ' CE ' ' CG ' ' A' ' 102' ' ' TYR . 0.8 OUTLIER -43.95 -43.31 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 110.977 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.59 -45.9 81.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -53.53 -57.59 10.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.5 t -58.21 -48.92 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.46 -51.44 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -50.22 -43.22 52.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' HA ' HG21 ' A' ' 61' ' ' VAL . 1.7 t80 -72.78 -43.51 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.916 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 41.0 mt -52.29 -63.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.39 -40.05 70.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.95 92.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -62.2 -34.04 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -59.12 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.47 -45.51 4.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 120' ' ' LEU . 4.7 t80 -45.33 -39.68 6.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.46 ' C ' HD11 ' A' ' 120' ' ' LEU . . . 147.53 -18.1 1.48 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.708 HG13 ' OD2' ' A' ' 94' ' ' ASP . 72.1 t -44.46 144.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.612 HD12 ' OG1' ' A' ' 93' ' ' THR . 34.9 pt -87.07 -169.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.11 1.5 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.612 ' OG1' HD12 ' A' ' 91' ' ' ILE . 1.5 p -105.27 -3.11 23.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.708 ' OD2' HG13 ' A' ' 90' ' ' VAL . 12.9 p30 -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 29.2 mmm -71.0 153.68 42.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.916 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 7.2 p90 -120.02 177.93 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.6 mt-30 -100.26 137.34 38.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.9 m -43.37 -33.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 1.2 m -72.27 -44.06 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 83.8 m-20 -49.52 -23.59 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 40' ' ' LEU . 14.2 tp -105.73 -60.02 1.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 71' ' ' VAL . 30.7 t80 -55.01 -58.05 9.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -82.06 -1.54 48.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 51.28 41.53 47.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -70.96 -39.12 72.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 110' ' ' VAL . 37.5 t0 -141.79 119.47 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -94.27 -38.78 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.92 69.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 110' ' ' VAL . . . -60.19 -56.38 22.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 106' ' ' ASP . 68.0 t -40.42 -37.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -72.12 -50.11 30.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.41 ' CD ' ' HA ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -41.41 -30.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' ALA . 96.2 m -69.67 -69.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.417 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.4 mt -43.17 -48.07 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -35.48 4.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' THR . . . -76.91 -55.06 5.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 88' ' ' TYR . 16.9 tp -45.72 -64.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.49 ' O ' HG23 ' A' ' 122' ' ' VAL . . . -46.24 -60.12 4.79 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -52.29 -42.89 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 0.759 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . 3.4 mt -62.03 -40.43 95.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.411 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -73.13 -30.32 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 118' ' ' GLY . 40.4 t -68.78 -47.75 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -49.39 -50.92 38.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -63.29 -69.61 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.9 t30 47.9 94.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.78 -52.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.496 ' H ' ' ND2' ' A' ' 128' ' ' ASN . . . 177.19 55.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 127' ' ' GLY . 0.0 OUTLIER -136.31 -58.39 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -52.06 113.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.09 -42.94 75.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.574 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -75.34 -152.06 3.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.463 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 4.3 m-20 -103.2 149.26 36.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.65 12.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -88.26 44.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.581 ' HH2' HG11 ' A' ' 20' ' ' VAL . 14.6 m0 -107.98 -62.18 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 108.055 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.576 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 27.5 m-85 -75.46 -59.57 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.88 127.78 1.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -161.37 46.08 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.4 t -142.1 136.18 29.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -68.99 153.67 53.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 64.67 6.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 82.2 p -114.77 142.92 45.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.54 -45.12 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 p -148.82 -55.36 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 0.787 . . . . 0.0 110.035 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -71.5 172.37 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.88 135.77 0.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.103 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.44 133.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.75 . . . . 0.0 109.979 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -55.68 -178.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.35 -106.63 0.22 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 61.1 -175.32 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -20.78 63.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD13 ' CE ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -55.1 -47.77 74.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 1.9 tt0 -44.74 -51.4 9.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -40.12 -44.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -51.51 63.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.606 HD23 ' CZ ' ' A' ' 136' ' ' PHE . 47.4 mt -43.22 -56.56 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 19' ' ' VAL . 43.8 t -58.65 -48.91 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.642 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.0 mm-40 -47.79 -25.69 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.471 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 19.0 t90 -85.05 -61.63 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 mt -48.46 -23.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 15' ' ' VAL . 41.4 t -69.1 -54.12 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.642 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -66.89 -38.2 80.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.471 ' CG ' ' NE1' ' A' ' 17' ' ' TRP . 3.3 mm-40 -62.62 -70.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.3 m -64.85 -53.41 47.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.246 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 117.99 179.36 17.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.03 3.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -125.63 -44.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.8 m -70.72 -32.58 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.64 -143.8 16.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.583 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -139.57 141.27 27.79 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.679 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -74.98 157.38 42.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -72.53 173.58 8.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -39.38 155.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.43 112.13 4.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -174.83 -54.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.286 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -148.97 -46.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -33.96 -66.79 0.26 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -38.07 -55.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 0.9 OUTLIER -42.29 -59.48 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.1 t -58.11 -45.84 88.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.612 ' CH2' HG13 ' A' ' 15' ' ' VAL . 4.7 t90 -47.24 -37.18 10.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.789 ' O ' HD11 ' A' ' 101' ' ' LEU . 30.4 mt -114.17 44.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 61.9 tttt -109.17 -54.19 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 5.2 m-20 -44.56 -48.51 10.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.93 -31.55 8.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.8 t -49.16 -49.16 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.48 -52.13 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 mt -56.99 -52.44 65.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.436 ' OG ' HG11 ' A' ' 61' ' ' VAL . 71.0 m -55.34 -39.53 70.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HE2' HG11 ' A' ' 63' ' ' VAL . 26.2 mttm -60.93 -40.04 91.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' SER . 14.5 tp -58.39 -73.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 51' ' ' ASN . 12.0 p -39.86 -48.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' N ' HG13 ' A' ' 50' ' ' VAL . 15.1 m-80 -57.84 -47.99 81.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' LEU . 12.1 p -48.14 -47.0 35.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' TYR . 86.7 mt -57.08 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 52.0 m-85 -36.54 155.07 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.0 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.78 -58.77 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.42 53.15 3.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 m -176.36 41.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.015 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -80.38 113.96 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.98 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.436 HG11 ' OG ' ' A' ' 47' ' ' SER . 60.3 t -87.33 160.72 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.7 ttpt -113.76 130.67 56.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.608 HG11 ' HE2' ' A' ' 48' ' ' LYS . 11.8 t -110.44 110.28 57.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 65' ' ' GLU . 18.1 Cg_endo -75.06 0.67 8.65 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' CB ' ' O ' ' A' ' 64' ' ' PRO . 5.3 tt0 83.63 -56.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -89.77 132.39 36.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.4 Cg_endo -75.01 144.92 30.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.2 Cg_endo -75.05 -172.1 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 t -128.56 -46.47 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 mmt -51.54 169.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.507 HG13 ' OH ' ' A' ' 102' ' ' TYR . 70.6 t -85.87 -58.05 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -41.97 -44.45 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -62.7 -66.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' HA ' ' A' ' 42' ' ' ASN . 28.3 mm-40 -40.03 -58.27 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -47.78 56.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -55.44 -49.31 72.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.39 -63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.92 -48.98 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.28 -48.19 55.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -53.37 -44.13 68.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -73.38 -43.13 61.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.732 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 45.1 mt -51.56 -59.71 3.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -54.83 -39.52 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.82 -42.81 97.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.17 -37.28 61.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -64.64 -46.28 83.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.87 -40.45 56.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.471 ' OH ' ' HB2' ' A' ' 121' ' ' ALA . 2.7 t80 -53.41 -54.35 38.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.834 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 146.92 43.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 120' ' ' LEU . 69.1 t -106.12 137.48 36.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.633 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.4 pt -73.14 167.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.85 2.98 43.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.633 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -99.63 -15.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.375 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.606 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.6 OUTLIER -100.71 -18.11 16.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 52.6 mmm -78.92 150.05 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.732 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 34.4 p90 -117.58 -172.38 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 111.042 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.7 mt-30 -103.45 134.47 46.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . 93.5 m -38.14 -37.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 103' ' ' GLU . 8.4 p -65.81 -52.33 51.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.511 ' N ' HG13 ' A' ' 99' ' ' VAL . 62.3 m-20 -40.46 -29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.789 HD11 ' O ' ' A' ' 40' ' ' LEU . 13.1 tp -99.77 -63.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.507 ' OH ' HG13 ' A' ' 71' ' ' VAL . 35.7 t80 -43.9 -50.64 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 99' ' ' VAL . 54.1 mm-40 -90.1 -18.0 26.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 71.32 25.13 76.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -53.9 -56.44 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 110' ' ' VAL . 5.6 m-20 -121.02 107.16 12.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -47.05 13.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.96 -31.41 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.11 -53.86 8.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 92.4 t -42.98 -37.04 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.413 ' OE1' HD12 ' A' ' 14' ' ' LEU . 15.1 mt-30 -78.95 -46.78 17.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.09 -28.17 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -74.97 -62.84 1.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.8 mt -50.95 -49.57 59.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.507 ' CE ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.84 -33.08 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.606 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -86.99 -50.79 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.0 tp -45.7 -60.69 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 121' ' ' ALA . . . -49.58 -67.66 1.69 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.59 -40.63 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.834 HD11 ' O ' ' A' ' 89' ' ' GLY . 4.3 mt -59.79 -46.39 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.471 ' HB2' ' OH ' ' A' ' 88' ' ' TYR . . . -68.12 -29.66 68.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 133' ' ' PRO . 64.1 t -68.72 -42.7 83.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 17.0 m -60.19 -35.68 75.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -77.62 -79.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 18.5 t30 58.78 100.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -166.66 44.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 86.51 60.35 1.73 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -148.52 -55.12 0.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.402 ' OH ' ' CD1' ' A' ' 136' ' ' PHE . 1.0 OUTLIER -70.53 97.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -22.15 43.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.573 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -94.68 -153.97 30.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.27 149.66 38.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.462 ' CB ' HG13 ' A' ' 122' ' ' VAL . 18.3 Cg_endo -74.97 -22.49 14.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -86.07 48.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.589 ' HH2' HG11 ' A' ' 20' ' ' VAL . 24.1 m0 -115.39 -59.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.606 ' CZ ' HD23 ' A' ' 14' ' ' LEU . 30.0 m-85 -81.37 -4.5 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.73 141.91 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -174.05 -166.6 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.03 105.11 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.017 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -136.44 177.87 19.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.36 25.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.782 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.53 118.87 13.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.9 p -90.43 116.41 28.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.93 131.96 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.98 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m 60.22 162.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.19 -92.8 1.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.26 178.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -136.66 168.44 19.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.942 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.04 -174.21 34.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -97.6 152.56 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -53.44 -57.79 9.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.65 -64.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.35 -53.59 1.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.1 -59.49 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.36 -51.96 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.4 mt -41.47 -55.98 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.684 HG13 ' CH2' ' A' ' 39' ' ' TRP . 89.9 t -59.44 -53.24 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.671 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.7 mt-10 -45.54 -26.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.499 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 23.6 t90 -83.02 -56.87 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 108.012 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.5 mt -49.41 -24.4 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' GLY . 27.0 t -71.37 -54.83 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.2 m -67.91 -38.33 79.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.6 ' HB3' HD12 ' A' ' 49' ' ' LEU . 9.1 mm-40 -62.99 -69.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -65.29 -54.39 29.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 108.271 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 116.22 176.07 18.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.07 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.33 -46.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.42 -30.23 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.53 -142.29 16.61 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.455 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -135.78 170.39 11.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.0 152.12 40.38 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -54.61 -176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.7 mtt85 -44.33 166.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.05 137.74 13.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.0 mmt-85 62.38 159.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 34' ' ' LEU . 7.1 mp 40.61 50.57 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.08 -46.1 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.56 -43.13 77.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.95 -37.45 74.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.4 t -81.81 -30.19 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.684 ' CH2' HG13 ' A' ' 15' ' ' VAL . 5.9 t90 -62.45 -37.89 87.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.833 ' O ' HD11 ' A' ' 101' ' ' LEU . 30.0 mt -108.4 33.39 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -95.38 -57.98 2.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -42.34 -50.04 5.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.13 -26.75 23.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 67' ' ' PRO . 53.3 t -48.79 -46.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 mt -63.94 -42.52 96.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.535 HD22 ' CE2' ' A' ' 81' ' ' PHE . 27.0 mt -60.84 -45.21 95.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.642 ' HB2' HG11 ' A' ' 61' ' ' VAL . 43.7 p -65.18 -39.22 92.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HE2' HG11 ' A' ' 63' ' ' VAL . 17.2 mttm -64.25 -38.92 92.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 21' ' ' GLN . 35.1 tp -54.22 -73.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -45.62 -37.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -56.54 20.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -46.17 16.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 54' ' ' TYR . 97.6 mt -53.72 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 60' ' ' PRO . 17.1 m-85 -35.59 150.44 0.1 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 158.73 42.35 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.35 152.82 6.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.83 -44.67 3.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -55.71 -75.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 42.85 90.69 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.571 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 18.5 Cg_endo -74.96 -46.76 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.642 HG11 ' HB2' ' A' ' 47' ' ' SER . 48.5 t -87.65 164.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -118.07 115.87 25.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.594 HG11 ' HE2' ' A' ' 48' ' ' LYS . 6.5 t -99.38 109.14 53.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 154.1 42.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -47.42 -62.09 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -100.85 139.17 20.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.901 ' HB3' HG21 ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.03 148.39 35.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.4 Cg_endo -74.94 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -155.67 -51.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.947 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.508 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . 3.0 mtt -45.88 137.52 5.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.735 HG13 ' H ' ' A' ' 72' ' ' PHE . 1.3 p -45.6 -69.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.735 ' H ' HG13 ' A' ' 71' ' ' VAL . 3.1 m-85 -51.89 -20.48 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HB2' ' CB ' ' A' ' 70' ' ' MET . 5.1 mmtp -82.7 -68.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' MET . 14.7 mm-40 -53.56 -44.08 68.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.425 ' HE1' HG12 ' A' ' 99' ' ' VAL . 15.1 mtp -48.94 -43.88 40.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -46.12 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -46.54 -47.04 19.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG12 ' HG ' ' A' ' 82' ' ' LEU . 60.3 t -72.77 -43.84 60.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.75 -47.97 41.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB3' HG13 ' A' ' 61' ' ' VAL . 67.7 mt-30 -54.4 -44.36 72.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CE2' HD22 ' A' ' 46' ' ' LEU . 7.9 t80 -72.98 -42.07 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.778 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 42.1 mt -53.2 -56.14 18.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -59.57 -40.29 86.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.91 99.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.39 80.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -58.92 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.72 -44.75 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -44.95 -38.79 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.68 -17.12 1.62 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.498 HG13 ' OD2' ' A' ' 94' ' ' ASP . 99.4 t -46.98 153.09 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.796 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.623 HD12 ' OG1' ' A' ' 93' ' ' THR . 18.5 pt -99.31 -171.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -102.8 7.42 39.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.623 ' OG1' HD12 ' A' ' 91' ' ' ILE . 2.2 p -108.1 -9.08 15.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.498 ' OD2' HG13 ' A' ' 90' ' ' VAL . 9.0 p30 -112.25 -10.5 13.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 91' ' ' ILE . 59.5 mmm -82.42 162.63 22.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.778 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 9.6 p90 -127.03 -177.51 4.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' ASP . 5.7 mt-30 -103.21 134.2 47.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -41.89 -35.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 100' ' ' ASP . 2.7 m -68.12 -47.41 78.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.445 ' N ' ' CG2' ' A' ' 99' ' ' VAL . 69.0 m-20 -48.86 -25.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.833 HD11 ' O ' ' A' ' 40' ' ' LEU . 12.2 tp -101.18 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.599 ' CE2' ' HA ' ' A' ' 71' ' ' VAL . 5.0 t80 -51.52 -56.05 15.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -79.64 -5.55 55.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.46 44.53 85.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.142 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -68.96 -72.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.552 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.5 OUTLIER -115.51 111.92 21.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 36.0 mmm -83.26 -28.43 29.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.83 -42.75 80.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -70.81 -52.68 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.58 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 53.8 t -41.83 -30.29 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' N ' ' C ' ' A' ' 109' ' ' ALA . 72.6 mt-30 -81.45 -51.5 8.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.65 -31.77 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.5 m -68.22 -70.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.8 mt -42.66 -50.05 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.41 -41.47 6.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.35 -59.89 2.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.9 tp -40.16 -55.99 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.65 -67.16 2.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 t -48.01 -41.52 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 0.799 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.461 HD12 HG22 ' A' ' 90' ' ' VAL . 2.3 mt -58.44 -32.24 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.35 -30.66 30.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.3 t -68.07 -50.37 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.6 m -48.12 -47.02 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -61.33 -66.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.63 94.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.235 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -149.0 -50.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.79 52.61 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.01 -50.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 0.741 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -72.49 108.14 5.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 130' ' ' ARG . 5.9 mmm180 -65.05 -43.84 91.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.557 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -66.85 -163.68 1.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.522 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 13.6 m-20 -84.2 152.56 61.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -32.36 5.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -83.21 51.87 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.661 ' HH2' HG11 ' A' ' 20' ' ' VAL . 15.5 m0 -114.69 -40.48 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 135' ' ' TRP . 13.7 m-85 -138.92 77.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.82 118.87 32.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -173.34 170.17 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.52 118.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -117.82 -145.45 7.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.28 2.62 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.5 m 46.91 94.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.998 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 54.43 86.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.02 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -138.1 100.94 4.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -172.28 104.9 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.16 165.46 14.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.132 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' CZ ' ' A' ' 31' ' ' ARG . 3.6 m -163.27 -57.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.753 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -99.16 169.42 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.65 118.34 0.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -80.01 144.49 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.83 -56.69 18.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -41.61 -66.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' CD ' ' CD2' ' A' ' 36' ' ' PHE . 0.9 OUTLIER -38.66 -56.8 1.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.0 -48.55 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -67.21 -57.64 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' ARG . 61.1 mt -40.06 -56.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 19' ' ' VAL . 38.9 t -58.07 -50.36 78.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.643 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mm-40 -49.46 -25.45 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.55 ' NE1' ' CG ' ' A' ' 21' ' ' GLN . 20.7 t90 -86.59 -61.22 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -46.98 -24.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 15' ' ' VAL . 43.1 t -69.72 -54.07 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.74 HG11 ' HH2' ' A' ' 135' ' ' TRP . 1.1 m -67.52 -38.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.624 ' OE1' HD21 ' A' ' 53' ' ' LEU . 5.4 mm-40 -59.03 -70.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.2 m -66.73 -53.04 37.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . 120.71 179.6 16.24 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 54.47 3.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.13 -44.84 2.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.0 m -69.68 -33.09 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 -144.92 17.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -140.72 141.55 25.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -74.98 163.12 36.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' ARG . 2.6 m-20 -78.77 176.87 9.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 5' ' ' SER . 4.1 mtt180 -38.9 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.5 113.92 5.12 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.14 -63.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.0 mt -138.11 -46.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.75 -67.55 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CD2' ' CD ' ' A' ' 11' ' ' GLU . 37.4 t80 -39.56 -52.52 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 101' ' ' LEU . 1.3 tm0? -45.64 -61.01 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.431 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 61.6 t -55.85 -44.9 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CH2' HG13 ' A' ' 15' ' ' VAL . 6.4 t90 -44.57 -42.07 7.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.016 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.82 ' O ' HD11 ' A' ' 101' ' ' LEU . 29.6 mt -111.37 47.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 18.9 tttt -110.35 -56.31 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -43.42 -51.09 6.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.23 -27.59 17.85 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.585 HG13 HG23 ' A' ' 63' ' ' VAL . 55.3 t -50.44 -40.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.1 mt -68.94 -56.89 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 81' ' ' PHE . 33.1 mt -50.58 -44.7 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.51 ' OG ' HG11 ' A' ' 61' ' ' VAL . 46.0 m -63.4 -35.39 80.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' HG3' HG21 ' A' ' 63' ' ' VAL . 14.1 mttm -67.73 -41.43 83.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 21' ' ' GLN . 24.8 tp -55.35 -73.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 54' ' ' TYR . 8.7 p -41.55 -48.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' N ' HG13 ' A' ' 50' ' ' VAL . 1.7 m-80 -48.39 -60.45 2.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.92 -52.55 2.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.624 HD21 ' OE1' ' A' ' 21' ' ' GLN . 43.8 mt -53.02 -79.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 29.9 m-85 -36.53 152.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.07 2.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.65 -34.24 53.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 41.25 3.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.56 -72.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.41 88.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.562 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.3 Cg_endo -74.94 -59.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.589 HG13 ' HB3' ' A' ' 80' ' ' GLN . 49.1 t -86.97 165.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.495 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -127.05 102.45 6.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.585 HG23 HG13 ' A' ' 44' ' ' VAL . 2.1 p -100.5 115.74 65.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 172.6 16.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.37 -46.63 85.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -101.82 156.92 34.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.94 36.36 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 69' ' ' SER . 18.4 Cg_endo -75.01 -57.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER 84.73 -48.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 126.61 28.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.631 HG22 ' OH ' ' A' ' 102' ' ' TYR . 51.0 t -41.87 -67.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -43.07 -47.96 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -61.83 -62.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -43.23 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.61 -43.87 36.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' GLN . 34.3 mt-10 -63.61 -52.6 60.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' GLU . 2.1 tp60 -39.01 -48.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.99 -52.55 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -41.63 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.589 ' HB3' HG13 ' A' ' 61' ' ' VAL . 75.4 mt-30 -55.89 -48.64 75.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.615 ' CE2' HD22 ' A' ' 46' ' ' LEU . 4.7 t80 -68.6 -43.43 76.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 36.5 mt -51.03 -71.11 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -44.66 -40.46 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 81' ' ' PHE . . . -62.93 -42.82 99.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.635 ' HB3' ' HE1' ' A' ' 95' ' ' MET . . . -53.85 -38.94 65.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -47.66 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -48.71 -44.48 38.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.5 -55.21 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.847 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 150.57 42.87 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.546 HG22 HD12 ' A' ' 120' ' ' LEU . 79.4 t -106.13 136.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.56 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.4 pt -70.51 169.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -86.53 2.67 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.56 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -101.74 -11.57 19.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.58 ' OD2' ' HB2' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -100.76 -21.41 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.635 ' HE1' ' HB3' ' A' ' 85' ' ' ALA . 40.2 mmm -77.15 137.54 38.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 110' ' ' VAL . 7.9 p90 -105.67 178.81 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 100' ' ' ASP . 1.6 mt-30 -93.58 135.92 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLN . 26.2 m -37.07 -48.2 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.434 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 100' ' ' ASP . 9.4 p -55.84 -52.49 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.523 ' N ' HG13 ' A' ' 99' ' ' VAL . 54.0 m-20 -39.55 -30.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.82 HD11 ' O ' ' A' ' 40' ' ' LEU . 16.4 tp -101.01 -64.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.631 ' OH ' HG22 ' A' ' 71' ' ' VAL . 20.7 t80 -42.92 -51.63 5.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.478 ' HB2' HG22 ' A' ' 99' ' ' VAL . 5.6 mm-40 -104.77 23.89 12.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' GLU . . . 37.06 31.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -51.43 -37.02 46.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.879 ' O ' HG23 ' A' ' 110' ' ' VAL . 52.9 m-20 -147.33 109.37 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.6 mmt -82.42 -32.43 29.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.12 75.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -63.16 -51.28 67.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 106' ' ' ASP . 87.3 t -39.25 -30.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 109' ' ' ALA . 65.5 mt-30 -84.1 -53.47 5.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.85 -34.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -68.32 -69.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 19.4 mt -48.52 -47.78 38.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -39.07 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.58 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . . . -78.27 -56.28 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.3 tp -42.37 -57.38 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.536 ' HA2' ' CH2' ' A' ' 17' ' ' TRP . . . -51.21 -66.06 2.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -38.89 17.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.988 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 89' ' ' GLY . 3.8 mt -59.82 -43.07 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.594 ' HB3' ' HD2' ' A' ' 129' ' ' TYR . . . -72.54 -28.96 63.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 136' ' ' PHE . 86.2 t -74.03 -48.66 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 88.6 m -39.89 -52.82 2.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -41.02 -89.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 127' ' ' GLY . 17.6 m-20 176.79 59.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 125' ' ' ASN . 0.2 OUTLIER 39.83 30.8 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 125' ' ' ASN . . . -74.51 -68.71 1.51 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -78.32 -36.12 46.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.594 ' HD2' ' HB3' ' A' ' 121' ' ' ALA . 3.5 t80 -66.79 104.77 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -63.98 -42.12 97.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.558 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -61.89 -171.97 1.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.68 151.01 54.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -33.17 4.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -31.21 69.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.74 ' HH2' HG11 ' A' ' 20' ' ' VAL . 32.9 m0 -46.76 -44.47 19.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.003 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.511 ' CD1' ' OH ' ' A' ' 129' ' ' TYR . 35.6 m-85 -138.6 77.2 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 4.6 ptp -73.72 148.0 43.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.01 137.56 10.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 39.8 t -161.68 84.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 171.31 -160.5 32.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.91 5.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.21 126.12 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.4 t -143.22 127.56 17.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -144.42 -58.76 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -109.62 73.38 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.21 -163.26 10.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -138.82 94.4 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.52 -57.59 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.34 -69.41 2.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 60.99 146.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 1.5 mp0 -68.41 -47.91 66.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.727 HD21 ' CG ' ' A' ' 115' ' ' MET . 0.5 OUTLIER -43.43 -52.64 5.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.54 -49.36 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 16' ' ' GLU . 2.9 mm-40 -42.2 -67.27 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -54.95 -45.97 74.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.776 ' O ' HD12 ' A' ' 18' ' ' ILE . 3.3 mp -51.03 -62.07 1.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG11 ' HD2' ' A' ' 29' ' ' PRO . 46.4 t -62.83 -62.25 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.709 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.9 mt-10 -40.17 -34.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' NE1' ' CZ ' ' A' ' 129' ' ' TYR . 19.5 t90 -77.43 -60.07 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 107.99 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.2 mt -50.83 -22.68 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 15' ' ' VAL . 40.8 t -70.13 -51.99 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG13 ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -69.36 -38.93 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG3' ' NE1' ' A' ' 17' ' ' TRP . 4.2 mm-40 -61.69 -69.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.6 m -65.92 -49.23 68.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 108.273 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' O ' ' A' ' 19' ' ' VAL . . . 112.52 -178.2 18.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 55.58 3.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.777 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.92 -47.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 26' ' ' VAL . 4.5 m -67.34 -33.45 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.44 -138.62 14.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -144.82 141.97 18.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.447 0.734 . . . . 0.0 110.309 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.601 ' HD2' HG11 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.99 129.43 12.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -48.29 160.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 167.85 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.428 1.08 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.4 -133.42 11.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.79 -47.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.74 -55.56 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -37.47 -64.54 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.536 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 45.2 t80 -41.56 -52.74 3.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.21 -61.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' HA ' ' CB ' ' A' ' 41' ' ' LYS . 96.4 t -57.38 -47.37 84.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 29' ' ' PRO . 8.5 t90 -49.05 -37.44 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' HD21 ' A' ' 101' ' ' LEU . 56.6 mt -112.53 41.26 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 102' ' ' TYR . 14.7 tttm -105.24 -55.47 2.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -40.87 -46.77 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.34 -30.8 9.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.553 HG13 HG13 ' A' ' 63' ' ' VAL . 54.6 t -50.04 -54.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mt -49.84 -50.89 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD11 HD21 ' A' ' 101' ' ' LEU . 50.7 mt -57.41 -49.16 77.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.501 ' HB3' HG11 ' A' ' 61' ' ' VAL . 63.3 m -57.42 -37.35 72.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.777 ' HE2' HG11 ' A' ' 63' ' ' VAL . 31.1 mttm -68.25 -36.66 79.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.4 tp -56.51 -74.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.54 -44.76 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 3.0 m-80 -51.15 -59.67 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASN . 0.7 OUTLIER -39.09 -51.85 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' TYR . 31.0 mt -54.13 -79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.558 ' CD2' ' HG3' ' A' ' 60' ' ' PRO . 25.7 m-85 -35.97 149.61 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -172.22 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -78.55 -33.98 47.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.94 41.58 3.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.088 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.66 -73.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 110.013 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 41.23 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HG3' ' CD2' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.95 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 62' ' ' LYS . 57.3 t -86.14 166.35 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -127.97 102.07 6.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.777 HG11 ' HE2' ' A' ' 48' ' ' LYS . 62.6 t -83.73 117.25 68.13 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.32 20.68 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -45.68 -64.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -118.15 164.8 18.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 18.3 Cg_endo -75.04 150.22 37.68 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 67' ' ' PRO . 18.3 Cg_endo -74.98 -176.96 3.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.69 -48.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 mtt -49.97 153.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.76 -60.18 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -47.95 -37.11 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -69.7 -68.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -45.62 -49.53 14.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -51.18 -52.61 42.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.38 -44.91 89.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -44.09 -42.23 6.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.6 t -71.75 -53.39 20.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.29 6.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -55.37 -45.82 76.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -72.06 -43.26 65.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.817 HD21 ' CZ ' ' A' ' 96' ' ' PHE . 38.2 mt -53.39 -58.2 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -52.54 -44.23 65.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' CE ' ' A' ' 95' ' ' MET . . . -52.62 -47.2 67.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.13 -50.38 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -40.53 18.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.17 -55.39 21.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.836 ' O ' HD11 ' A' ' 120' ' ' LEU . . . 150.18 43.39 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.14 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.632 HG22 HD12 ' A' ' 120' ' ' LEU . 92.7 t -108.46 129.37 62.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.469 HD12 ' HB ' ' A' ' 93' ' ' THR . 6.9 pt -61.75 174.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -12.34 47.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.469 ' HB ' HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -89.62 -12.86 38.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -98.42 -21.12 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.471 ' CE ' ' O ' ' A' ' 82' ' ' LEU . 35.4 mmm -81.14 147.49 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.817 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 11.9 p90 -108.75 -176.91 3.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 100' ' ' ASP . 2.9 mt-30 -96.17 139.4 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 m -47.01 -23.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.7 m -87.49 -37.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' GLN . 80.1 m-20 -50.04 -23.02 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.813 HD21 ' O ' ' A' ' 40' ' ' LEU . 15.6 tp -106.75 -63.43 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 41' ' ' LYS . 28.5 t80 -49.99 -52.57 32.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 105' ' ' LYS . 14.1 mm-40 -90.66 12.6 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 38.56 30.59 0.1 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 103' ' ' GLU . 12.0 mttt -57.12 -45.39 83.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -141.49 107.87 5.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 38.0 mmm -82.58 -36.71 25.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.65 -31.63 11.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.403 ' C ' ' N ' ' A' ' 111' ' ' GLN . . . -76.71 -53.2 8.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.552 ' HA ' ' CD2' ' A' ' 96' ' ' PHE . 95.2 t -41.28 -30.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 109' ' ' ALA . 89.0 mt-30 -81.26 -51.79 8.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.45 -33.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.2 m -68.59 -64.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.398 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.613 HD13 ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt -46.96 -50.77 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.727 ' CG ' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -42.48 -37.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.71 -57.28 3.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.9 tp -43.46 -49.57 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.58 -69.67 1.21 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.0 -36.0 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.836 HD11 ' O ' ' A' ' 89' ' ' GLY . 6.0 mt -66.0 -51.63 56.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.74 -17.25 55.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 31.6 t -83.04 -45.87 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.5 m -76.98 -40.58 46.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.8 -100.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 127' ' ' GLY . 5.6 p30 -130.63 70.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 129' ' ' TYR . 7.9 p-10 -39.33 -30.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 125' ' ' ASN . . . -46.96 -34.69 7.53 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.538 HD22 ' N ' ' A' ' 128' ' ' ASN . 1.2 m-80 -78.02 -31.93 50.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.423 0.719 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.544 ' CZ ' ' NE1' ' A' ' 17' ' ' TRP . 3.2 t80 -61.07 116.49 4.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -58.45 -57.75 11.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.558 ' HA3' ' CZ3' ' A' ' 135' ' ' TRP . . . -62.62 -165.7 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.421 ' HB2' ' CD1' ' A' ' 135' ' ' TRP . 2.0 m-20 -90.81 151.79 43.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -29.13 8.51 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -84.31 50.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.624 ' HH2' HG11 ' A' ' 20' ' ' VAL . 14.9 m0 -112.96 -58.41 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.982 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -89.78 -37.46 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 153.06 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -139.88 155.33 47.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 61.8 p -113.49 122.32 46.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -173.92 -178.65 44.01 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 76.59 3.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.8 t -133.07 158.21 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.6 m -145.47 131.86 19.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.952 . . . . . . . . 0 0 . 1 stop_ save_