data_2djb_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 2djb _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 ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.5 132.58 51.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 1.7 m -63.46 -19.97 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.3 mt -99.43 -65.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -62.77 -27.43 69.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp 62.2 25.1 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.74 -126.88 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -90.88 163.72 14.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 110.95 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.64 166.92 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mp -120.35 -61.99 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -85.67 -42.14 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.74 47.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.6 m -79.78 114.35 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -95.22 137.37 34.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.7 mt -76.28 145.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 32' ' ' THR . 87.0 m -93.33 11.12 29.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HG2' ' CD1' ' A' ' 58' ' ' ILE . 35.1 tt0 -109.3 -68.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 -2.47 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 57.31 53.76 7.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.575 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 27.8 m170 -112.22 148.41 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.7 m -90.16 128.49 36.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 38.4 m-85 -152.58 133.43 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.24 136.45 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 12.6 tptm -40.54 -55.45 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.3 m -61.66 -38.72 88.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.5 m -62.4 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -57.46 -39.69 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 54.8 t -66.79 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.04 -42.18 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 11.1 t60 -65.64 -28.92 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.4 m-85 -76.37 -15.49 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.93 -37.89 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -95.94 -43.63 7.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.978 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -128.05 126.49 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.84 33.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 63.4 mtm180 -127.41 175.11 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 55' ' ' LYS . 43.5 t -94.73 126.61 46.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.77 10.0 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -112.86 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.457 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 5.5 p -93.83 -16.39 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER 73.96 46.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 21.9 pt -110.28 134.66 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -72.52 87.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.3 t -97.0 170.23 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -110.2 -26.11 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 54' ' ' PRO . 86.1 mt -90.62 -49.62 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 12.5 p -108.04 4.23 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 37.8 36.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.91 164.85 20.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -46.04 129.41 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.2 mt -65.51 86.83 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 27' ' ' ASP . 10.8 tp -58.18 -45.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.5 m-20 -132.0 47.89 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -31.32 137.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' PHE . 27.8 m -131.65 95.95 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.0 m -61.56 148.44 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' HIS . 65.1 mt -125.85 83.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 31' ' ' ILE . 96.8 m -31.01 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' ILE . 5.8 tp10 -47.18 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.88 26.76 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 40.32 33.27 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 46.7 m170 -104.34 142.43 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -115.07 145.26 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 20.0 m-85 -152.08 147.62 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 m -54.35 145.15 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -52.6 -58.21 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -56.72 -45.63 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.0 m -58.75 -66.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 44' ' ' VAL . 11.3 tp -53.12 -50.92 43.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.516 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 22.5 t -55.65 -41.83 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -70.51 -34.17 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 22.2 t60 -67.9 -36.98 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -71.13 -28.45 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.8 -36.74 77.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -102.65 -45.45 5.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' HIS . 1.7 m -130.53 118.62 21.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 43.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 36.9 mtp180 -129.62 173.43 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -95.73 130.16 32.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.451 ' HG3' ' CD1' ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.78 8.39 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 53' ' ' CYS . 7.6 ttmt -113.84 -67.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.1 p -93.44 -21.28 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 16.8 m-80 71.39 54.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.413 HG13 ' CG2' ' A' ' 60' ' ' VAL . 43.3 pt -111.69 137.85 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.5 t -69.91 79.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.413 ' CG2' HG13 ' A' ' 58' ' ' ILE . 61.0 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.905 0.384 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.66 167.29 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -109.95 -23.31 11.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.6 -53.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 p -101.94 -14.69 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.68 38.39 25.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.47 -172.36 13.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -68.56 135.89 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.961 0.41 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.11 130.09 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.23 -48.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 10.0 t70 -88.71 -42.4 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 70.63 54.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 38' ' ' PHE . 7.4 m -80.83 110.03 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.2 m -99.78 149.12 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' GLU . 12.0 mt -105.39 92.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.493 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 27.2 m -32.82 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.7 tt0 -49.96 -66.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -108.25 19.12 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 32' ' ' THR . 4.3 mm? 38.27 47.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 39.1 m170 -110.73 130.01 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.0 m -83.33 135.81 34.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 50.5 m-85 -152.59 130.08 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.1 m -47.35 121.25 3.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -41.73 -30.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 p -82.03 -33.72 29.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' CYS . 50.2 m -79.22 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.604 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -38.73 -32.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.11 -41.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.9 mtt-85 -65.76 -43.3 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -57.98 -25.7 61.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CE2' HD12 ' A' ' 43' ' ' ILE . 5.5 m-85 -75.29 -27.23 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -67.81 -31.75 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -101.47 -43.45 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -127.23 115.83 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.33 49.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -151.27 -176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -98.41 135.67 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 9.39 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 53' ' ' CYS . 5.6 mmtm -121.96 -65.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 11.5 p -98.73 3.33 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.497 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 13.0 p30 44.41 53.25 7.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.2 pt -104.92 133.15 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.99 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.54 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.7 t -110.22 165.46 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -97.52 -26.49 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 54' ' ' PRO . 69.5 mt -92.22 -56.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -80.94 -21.09 40.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.85 31.83 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.33 -154.55 6.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.83 146.9 54.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -91.9 124.66 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -86.75 -65.14 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 28' ' ' ALA . 66.8 m-20 -114.97 52.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -27.29 135.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' PHE . 15.9 m -127.52 96.59 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.6 m -66.72 135.39 53.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' GLU . 44.0 mt -116.49 86.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.4 m -32.09 -35.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -49.43 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -103.89 11.11 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' ILE . 2.9 mm? 53.17 25.06 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 43.4 m170 -90.16 165.56 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 m -130.62 139.19 50.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 15.9 m-85 -152.59 146.94 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 6.6 m -54.51 142.02 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -64.55 -11.57 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.1 p -94.89 -42.24 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 43' ' ' ILE . 21.8 p -80.22 -47.15 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -57.93 -39.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 48.1 t -76.32 -36.0 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -76.59 -22.86 53.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 70.2 t60 -71.27 -31.45 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 43' ' ' ILE . 20.5 m-85 -72.29 -24.1 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.42 -44.22 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -98.72 -40.45 8.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -128.13 104.19 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.65 50.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -156.15 137.58 13.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 49.0 t -53.31 127.71 48.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 54.0 Cg_endo -69.73 6.56 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.0 ttmt -108.52 -69.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.2 p -89.94 -21.96 22.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.5 t-20 74.97 51.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 HG13 ' CG2' ' A' ' 60' ' ' VAL . 35.3 pt -109.07 143.58 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.94 89.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 58' ' ' ILE . 96.5 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -113.7 167.52 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -108.4 -28.62 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 54' ' ' PRO . 12.2 mt -87.42 -55.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.1 p -92.75 -20.94 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm 61.33 40.7 13.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.71 160.08 24.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.12 130.99 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.49 114.48 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.1 mm -75.56 -67.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.83 -42.14 61.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.55 50.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -81.66 102.22 10.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -98.18 121.54 40.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 32' ' ' THR . 37.2 mt -66.97 163.03 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.408 ' N ' ' CG2' ' A' ' 31' ' ' ILE . 94.5 m -103.17 -35.54 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -51.75 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 35' ' ' LEU . 1.1 p -112.24 29.06 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 34' ' ' CYS . 15.3 mt 28.02 50.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 34' ' ' CYS . 38.5 m170 -108.49 140.58 41.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -85.13 136.74 33.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -152.68 141.15 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.0 m -69.79 155.72 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -66.99 -35.67 80.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -83.56 -9.04 59.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 m -99.29 -52.88 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.571 HG13 ' CE2' ' A' ' 47' ' ' PHE . 9.3 tp -66.01 -41.24 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.9 t -67.48 -38.78 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.51 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -79.14 -34.97 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 77.5 t60 -64.45 -32.43 74.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 43' ' ' ILE . 8.0 m-85 -72.88 -25.43 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.41 -35.24 78.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 6.2 m-85 -96.62 -43.24 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.1 t -134.94 120.44 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -80.4 42.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 24.0 mtm180 -139.75 164.86 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.3 t -85.78 127.38 62.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.708 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.576 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 54.3 Cg_endo -69.74 8.33 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' CYS . 8.7 mmtp -110.42 -66.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.5 p -94.99 -14.1 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 t-20 70.66 43.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.8 pt -105.9 141.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.89 98.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.819 0.343 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t -103.41 169.13 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.408 ' CB ' ' HZ1' ' A' ' 55' ' ' LYS . 13.7 p -97.37 -40.1 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mt -84.77 -69.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.41 -18.7 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt 55.37 40.71 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.16 -149.77 6.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -85.83 138.0 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.933 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.75 145.68 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.32 -64.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -84.23 -35.64 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 69.47 55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -78.56 142.39 37.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 31' ' ' ILE . 89.2 m -127.71 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 32' ' ' THR . 23.3 mt -111.76 83.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.528 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.7 m -27.18 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.7 tp10 -33.37 -52.35 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.19 -8.74 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.8 mt 64.35 50.15 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 20.7 m170 -109.16 178.14 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -126.12 138.97 53.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m-85 -153.34 164.15 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.2 m -89.8 162.1 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 56.6 tptt -59.93 -57.55 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -62.49 -40.13 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.89 -53.94 48.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.564 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.0 tp -69.35 -31.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 41.3 t -71.99 -37.92 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -83.34 -42.44 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.567 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 65.6 t60 -52.96 -32.93 48.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -70.28 -24.33 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.93 -36.67 59.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -88.3 -43.95 11.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 t -137.98 143.09 40.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -85.0 -24.32 28.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -71.49 177.26 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 36.2 t -88.73 136.89 30.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.684 0.754 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.3 Cg_endo -69.76 10.44 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -122.66 -70.51 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.9 p -89.39 -13.58 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 m120 62.68 53.26 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.6 pt -107.37 132.93 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.96 91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.86 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -76.71 166.01 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -110.05 -17.73 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.97 -41.19 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.5 p -112.18 2.87 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? 41.48 34.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.96 151.73 17.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -42.84 146.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.976 0.417 . . . . 0.0 110.93 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.34 146.95 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.0 mm -108.08 -61.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.76 -31.69 17.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.93 54.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.5 m -80.49 115.5 20.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 31' ' ' ILE . 85.4 m -105.1 151.18 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 ' N ' HG23 ' A' ' 30' ' ' THR . 2.7 mm -77.68 169.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -103.11 -28.76 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -84.36 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -80.83 -20.73 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp 63.14 46.1 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.418 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 30.9 m170 -99.79 134.62 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.7 m -83.91 131.13 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -153.26 133.32 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.7 m -46.48 133.26 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 36.9 tptt -46.13 -46.3 17.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.0 m -66.41 -51.02 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -56.27 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -46.64 -43.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 73.0 t -68.64 -35.52 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -69.85 -37.62 76.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.38 -27.93 65.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.542 ' CE2' HG13 ' A' ' 43' ' ' ILE . 7.5 m-85 -71.27 -25.24 62.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -66.5 -40.61 89.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -90.86 -44.05 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 1.7 m -129.19 117.8 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -75.0 48.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 58' ' ' ILE . 52.1 mtt-85 -148.32 179.95 7.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.5 t -93.55 132.26 30.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 8.92 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 1.8 tptt -116.85 -64.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.13 -15.97 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 56.7 m-20 62.85 54.44 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.408 ' C ' ' HG2' ' A' ' 52' ' ' ARG . 35.6 pt -115.59 137.9 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.11 94.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 9.6 t -97.74 170.32 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -108.13 -27.38 10.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mt -92.27 -49.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.9 p -102.55 -10.81 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 48.35 54.34 10.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -146.85 153.91 25.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.3 m-85 -35.22 139.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 mt -83.17 138.64 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.32 -59.91 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 28.2 t0 -82.73 -34.49 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.06 53.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -79.28 134.03 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 31' ' ' ILE . 28.8 m -119.02 145.28 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' GLU . 29.4 mt -106.86 80.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' ILE . 46.2 m -33.41 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ILE . 7.1 tt0 -46.08 -49.71 16.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -124.16 2.81 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' N ' HD21 ' A' ' 35' ' ' LEU . 3.6 mm? 61.96 44.78 7.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 51.6 m170 -114.47 144.09 43.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -104.26 139.27 39.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' CYS . 70.7 m-85 -153.57 121.08 5.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' PHE . 14.9 m -34.63 151.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 19.3 tptp -58.42 -57.23 13.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -58.49 -44.26 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.59 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.573 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.0 tp -54.35 -42.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -68.04 -33.45 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.73 -23.08 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 23.2 t60 -80.01 -33.13 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -73.4 -27.84 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -61.1 -46.16 91.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -95.35 -44.0 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.8 m -119.56 105.62 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -78.17 41.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -144.23 146.34 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.5 t -68.78 127.68 93.09 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 54.3 Cg_endo -69.72 8.17 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.73 2.287 . . . . 0.0 112.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 36' ' ' HIS . 2.5 tttt -109.76 -70.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -89.77 -10.99 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 2.5 m-20 60.1 53.7 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 38.9 pt -108.86 152.3 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -78.78 89.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 12.0 t -122.2 167.66 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m -110.72 -24.28 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.9 mt -88.42 -53.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 p -112.64 5.39 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 41.85 29.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.84 172.27 20.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.88 144.35 56.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -89.22 126.01 35.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.43 -53.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 12.2 t0 -91.4 -29.63 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.08 54.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.3 m -78.04 102.05 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 31' ' ' ILE . 90.3 m -92.04 154.25 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 32' ' ' THR . 63.2 mt -110.49 83.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.9 m -31.84 -40.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' ILE . 4.1 tp10 -45.25 -60.64 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.8 21.12 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 35' ' ' LEU . 6.7 mp 41.38 37.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 41.3 m170 -101.38 137.18 40.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.5 m -97.35 142.54 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 54.8 m-85 -153.55 117.17 4.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' LYS . 9.7 m -37.12 132.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -37.21 -61.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.9 p -56.39 -45.92 80.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.8 m -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.555 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 10.3 tp -51.61 -26.84 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.436 ' N ' HG23 ' A' ' 43' ' ' ILE . 79.8 t -85.42 -29.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -80.73 -34.54 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.492 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 45.3 t60 -69.76 -29.25 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 43' ' ' ILE . 6.4 m-85 -72.65 -26.52 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -65.7 -40.02 91.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -94.81 -43.07 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 t -131.22 117.41 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -79.55 40.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -137.29 179.65 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.5 t -97.1 126.93 40.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 53.8 Cg_endo -69.73 11.69 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.8 tptt -115.15 -70.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.5 p -93.51 -5.4 49.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 9.4 m120 61.82 51.77 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.6 pt -115.92 134.69 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.84 108.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.889 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 14.2 t -112.28 166.6 11.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -103.3 -31.74 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.6 mt -84.56 -68.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -88.64 -14.43 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 3.5 mppt? 54.25 42.16 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -132.82 151.31 19.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.4 m-85 -33.45 138.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 37' ' ' THR . 9.6 mt -83.82 130.09 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -89.29 -48.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.91 -42.57 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 37' ' ' THR . . . 73.72 47.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.7 m -80.46 108.8 14.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 30' ' ' THR . 2.4 t -101.28 137.07 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.9 mt -89.05 90.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 31' ' ' ILE . 85.7 m -30.73 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' ILE . 2.5 tp10 -47.09 -51.51 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.55 2.49 8.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 35' ' ' LEU . 3.8 mm? 57.02 47.95 16.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 23.4 m170 -113.74 120.38 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.466 HG22 ' CD1' ' A' ' 25' ' ' LEU . 15.5 m -77.54 141.68 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 66.3 m-85 -153.13 120.3 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.2 m -38.6 131.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 13.8 tptm -39.86 -48.78 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 t -68.76 -40.37 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 m -61.73 -59.24 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 44' ' ' VAL . 9.5 tp -56.37 -52.04 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.512 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 89.2 t -56.12 -42.2 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -75.03 -29.99 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.568 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 57.7 t60 -68.55 -36.08 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -69.73 -21.61 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -78.37 -42.39 30.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -83.68 -43.56 15.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -130.58 139.35 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.41 40.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.542 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 46.3 mtt180 -147.14 170.68 16.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 45.8 t -84.97 132.44 45.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.568 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 54.1 Cg_endo -69.73 11.47 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.411 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 12.8 mmmt -119.58 -66.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.9 p -97.31 -4.65 38.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 34.7 m120 55.43 52.39 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.4 pt -105.76 134.97 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.08 95.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -94.79 167.37 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -102.9 -28.93 11.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mt -90.63 -60.12 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.8 p -84.01 -21.02 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 60.53 47.64 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -152.66 159.34 28.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 13.2 m-85 -33.97 126.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.77 102.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.76 -53.2 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 28' ' ' ALA . 17.0 m-20 -132.54 52.75 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -30.84 138.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . 95.6 m -125.42 96.17 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -72.36 114.99 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.42 157.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -100.06 -1.84 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' OE1' ' CD1' ' A' ' 58' ' ' ILE . 18.3 tt0 -96.16 -70.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 56' ' ' CYS . 1.5 p -92.28 -10.97 36.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 63.06 54.05 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -111.18 157.75 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.8 m -102.1 131.26 48.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 38.9 m-85 -153.05 129.49 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 m -46.75 163.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 19.5 tptm -67.63 -50.52 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.7 p -66.46 -47.23 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.2 m -55.24 -66.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 44' ' ' VAL . 10.9 tp -50.45 -47.97 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 72.4 t -62.61 -33.49 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -78.99 -24.01 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 19.0 t60 -79.68 -35.37 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.97 -26.52 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.24 -47.22 85.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.81 -44.38 8.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' HIS . 7.8 m -127.01 108.02 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.27 -19.97 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 60.9 mtm180 -73.33 178.85 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' H ' ' A' ' 55' ' ' LYS . 48.4 t -98.93 132.01 24.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.581 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.81 11.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 53' ' ' CYS . 6.0 ttmt -118.88 -69.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 4.7 p -87.99 -12.14 45.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.1 m120 62.66 49.75 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.418 ' CD1' ' OE1' ' A' ' 33' ' ' GLU . 14.8 pt -116.12 132.79 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.24 83.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -112.6 168.2 9.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -108.55 -24.13 11.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.43 -54.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -99.11 -13.73 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 55.78 42.02 29.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.35 155.19 23.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -39.37 140.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 7.9 mt -79.75 168.6 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.409 HD11 ' N ' ' A' ' 26' ' ' ILE . 5.1 mp -125.59 -58.56 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 9.1 t70 -91.47 -34.68 14.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 70.48 54.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 m -79.46 112.43 16.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.427 HG21 ' N ' ' A' ' 31' ' ' ILE . 61.5 m -111.78 148.4 33.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 35' ' ' LEU . 2.5 mt -86.41 158.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 32' ' ' THR . 41.1 m -98.0 -7.87 29.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -89.62 -73.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.7 p -85.15 -15.68 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 62.91 54.49 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.591 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 25.5 m170 -111.73 133.07 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.5 m -83.64 133.71 34.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 60.3 m-85 -152.98 126.12 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' SG ' ' CD2' ' A' ' 25' ' ' LEU . 8.0 m -43.7 146.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -50.91 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -49.67 -43.35 47.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -58.11 -66.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 HG13 ' CE2' ' A' ' 47' ' ' PHE . 10.2 tp -51.39 -31.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' N ' HG23 ' A' ' 43' ' ' ILE . 81.4 t -79.96 -31.99 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -77.19 -35.0 56.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 70.1 t60 -75.12 -31.82 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.477 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.9 m-85 -73.47 -22.05 60.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.36 -36.59 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -96.14 -42.32 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -126.76 115.79 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.09 45.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -148.42 167.1 26.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 14.0 t -79.9 127.71 76.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.743 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.71 7.56 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.591 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -113.49 -70.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 58' ' ' ILE . 3.5 p -85.6 -24.51 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.9 t-20 72.87 54.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.403 HG22 ' SG ' ' A' ' 56' ' ' CYS . 33.6 pt -119.81 146.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.59 109.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.804 0.335 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -97.36 168.06 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -103.19 -36.83 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.403 ' CD1' ' HG3' ' A' ' 54' ' ' PRO . 52.9 mt -81.82 -62.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -80.7 -23.17 39.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 60.25 45.73 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.42 169.61 26.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -43.74 131.84 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.62 136.24 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.29 -65.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 2.1 m-20 -93.05 -28.12 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 52.19 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.4 m -80.85 96.61 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 31' ' ' ILE . 61.0 m -90.31 140.82 29.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' N ' HG21 ' A' ' 30' ' ' THR . 3.9 mt -82.76 152.29 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.3 m -96.71 -12.45 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -81.33 -71.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 p -85.31 -10.33 56.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mm? 62.78 53.14 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 55' ' ' LYS . 48.6 m170 -117.62 145.83 44.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -91.36 131.32 36.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.459 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -153.18 129.27 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' PHE . 23.0 m -48.84 179.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 22.7 tptp -80.25 -63.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 48.4 t -60.2 -19.8 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.7 m -78.54 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.588 HG13 ' CE2' ' A' ' 47' ' ' PHE . 10.5 tp -69.32 -39.06 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -67.55 -28.88 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.48 ' N ' HG13 ' A' ' 44' ' ' VAL . 27.5 ttt180 -88.45 -48.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 30.8 t60 -48.48 -26.86 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CE2' HG13 ' A' ' 43' ' ' ILE . 9.6 m-85 -74.88 -31.64 61.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -62.52 -36.34 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -96.74 -44.51 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.6 t -128.99 115.81 18.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -77.36 42.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.485 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 67.5 mtt180 -144.11 177.02 8.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 23.2 t -95.12 130.37 32.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 54.3 Cg_endo -69.75 7.99 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 53' ' ' CYS . 4.7 ttmt -116.19 -68.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.6 p -89.68 -19.85 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 47.6 t30 66.8 54.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.0 pt -116.08 137.85 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.41 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -114.37 168.35 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 t -103.81 -35.44 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mt -82.56 -64.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -81.84 -22.33 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 61.57 41.36 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -136.79 156.29 23.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 14.8 m-85 -33.98 137.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 37' ' ' THR . 6.1 mt -81.96 131.49 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.35 -59.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 36.6 t0 -77.17 -46.68 22.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.98 48.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.9 m -79.71 102.46 9.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 31' ' ' ILE . 87.5 m -96.49 141.71 29.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 47.2 mt -100.41 89.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' ILE . 98.6 m -31.79 -40.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' ILE . 5.5 tp10 -41.84 -56.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -118.36 15.01 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 44.25 44.85 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.64 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 34.4 m170 -110.05 129.74 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.439 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.3 m -84.84 141.4 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 61.1 m-85 -152.87 135.35 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' HG21 ' A' ' 43' ' ' ILE . 10.6 m -61.5 140.21 58.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 16.0 tptm -47.05 -60.22 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -57.15 -43.66 82.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.0 m -61.6 -67.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.413 HG21 ' O ' ' A' ' 39' ' ' CYS . 7.2 tp -52.48 -44.95 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 43.5 t -60.09 -45.22 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -72.78 -28.83 62.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 84.9 t60 -67.92 -37.56 81.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.69 -26.42 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.44 -39.6 91.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -91.22 -44.47 9.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -136.92 119.54 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -76.55 44.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -137.4 177.47 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.8 t -91.19 129.93 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.75 4.33 2.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -109.91 -71.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.8 p -87.89 -25.21 23.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.1 m-20 73.36 51.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.8 pt -105.82 138.69 29.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.16 91.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.7 t -103.06 164.77 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -92.99 -31.67 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.564 HD11 ' CD1' ' A' ' 38' ' ' PHE . 17.8 mt -90.24 -62.47 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -71.71 -30.99 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt 63.01 47.11 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -159.79 159.5 30.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' GLY . 30.8 m-85 -34.89 143.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -86.37 162.96 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.99 -55.75 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 40' ' ' LYS . 8.2 t0 -96.89 -35.96 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 70.71 54.63 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -80.04 99.6 7.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 m -92.82 132.1 37.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.442 ' CG2' ' H ' ' A' ' 32' ' ' THR . 27.3 mt -70.46 168.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.442 ' H ' ' CG2' ' A' ' 31' ' ' ILE . 32.9 m -108.6 -38.23 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' CG ' HD12 ' A' ' 58' ' ' ILE . 11.8 tt0 -59.24 -72.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -86.33 -14.41 43.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt 64.03 53.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -109.22 164.78 12.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.3 m -111.14 129.62 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CD1' HD11 ' A' ' 20' ' ' ILE . 55.2 m-85 -153.71 131.12 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m -48.92 122.97 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 11.9 tmtt? -39.03 -27.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' CYS . 4.0 m -79.36 -67.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 44' ' ' VAL . 9.8 tp -56.02 -46.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 30.0 t -72.19 -32.15 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.442 ' C ' ' HD2' ' A' ' 45' ' ' ARG . 4.9 tmm_? -69.08 -32.26 71.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -79.39 -30.87 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE1' ' HB ' ' A' ' 60' ' ' VAL . 8.1 m-85 -74.77 -26.17 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.54 -37.63 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -107.5 -45.1 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 55.0 m -105.85 105.13 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -74.47 47.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -155.05 157.85 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.0 t -74.94 127.63 86.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -112.79 -67.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.8 p -96.4 -16.17 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 8.5 m120 69.27 51.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.447 HD12 ' CG ' ' A' ' 33' ' ' GLU . 38.2 pt -110.38 152.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.57 100.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.537 ' HB ' ' CE1' ' A' ' 47' ' ' PHE . 86.5 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 38.5 t -100.7 165.63 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 m -106.15 -28.98 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mt -80.58 -63.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -87.06 -19.18 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 29.1 mmmt 62.85 39.45 10.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.22 -132.19 3.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -111.58 135.34 52.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 0.0 110.912 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mt -78.36 112.78 15.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.29 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 30.2 t70 -79.71 -36.59 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 72.4 54.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 t -78.83 151.27 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.5 m -150.81 133.88 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 mt -100.14 88.01 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 31' ' ' ILE . 33.2 m -31.37 -43.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' THR . 8.4 tt0 -34.49 -50.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -117.02 -8.59 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt 64.05 44.22 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 39.6 m170 -108.49 133.46 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 9.2 m -87.57 144.78 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 57.3 m-85 -152.54 163.21 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 8.4 m -91.04 158.24 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 20.9 tptm -55.48 -63.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 m -57.0 -34.88 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.0 m -65.35 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.581 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -59.61 -27.07 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.485 ' N ' HG23 ' A' ' 43' ' ' ILE . 75.5 t -82.98 -33.48 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.57 -31.77 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 75.1 t60 -76.28 -37.28 57.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.4 m-85 -69.42 -18.08 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' A' ' 44' ' ' VAL . 3.3 m-85 -72.39 -44.62 62.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -95.58 -44.25 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -118.75 117.54 29.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.58 43.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 26.4 mtt180 -147.11 157.24 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 19.5 t -67.49 124.13 88.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.79 7.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 53' ' ' CYS . 1.4 tptm -108.63 -70.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.9 -14.08 37.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 12.4 m120 71.85 50.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 pt -117.08 133.55 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.488 ' N ' ' HG2' ' A' ' 52' ' ' ARG . 7.2 p -75.25 115.87 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 t -113.72 167.45 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.05 -24.82 13.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mt -93.74 -64.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.34 -15.49 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt 56.33 42.8 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.66 161.22 25.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -45.83 145.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.8 147.73 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.55 -54.13 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.33 -33.57 15.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 67.97 54.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.2 m -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.0 m -110.41 135.74 50.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.41 ' CG2' ' H ' ' A' ' 32' ' ' THR . 20.4 mt -73.03 168.91 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.41 ' H ' ' CG2' ' A' ' 31' ' ' ILE . 89.0 m -108.69 -39.02 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -54.91 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.8 p -87.71 -22.97 24.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tp 72.53 52.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.459 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 36.9 m170 -111.98 141.59 45.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.9 m -87.36 131.12 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -153.66 136.45 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.8 m -55.19 126.35 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.21 -50.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -62.63 -46.67 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.0 m -58.51 -62.76 1.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.1 tp -48.52 -39.21 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' N ' HG21 ' A' ' 43' ' ' ILE . 45.8 t -75.37 -33.26 27.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 45' ' ' ARG . 6.4 ttp85 -76.12 -25.5 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -79.08 -28.05 43.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 43' ' ' ILE . 11.0 m-85 -70.31 -25.77 63.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -65.23 -39.78 93.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -92.51 -43.05 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -132.91 116.87 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.02 43.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -142.8 -178.35 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.4 t -95.41 132.38 27.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.66 5.4 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.394 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.4 ttmt -115.78 -70.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.2 p -87.18 -26.78 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.5 m-20 75.07 54.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.2 pt -116.25 134.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.63 94.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.867 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' CB ' ' SG ' ' A' ' 21' ' ' CYS . 10.2 t -108.53 168.28 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -102.79 -33.13 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mt -87.39 -59.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 18' ' ' CYS . 19.4 p -80.57 -19.44 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 58.61 47.69 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -150.25 -152.58 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -62.75 127.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.47 85.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 8.3 mt -70.78 126.72 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.1 t0 42.56 41.19 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -24.92 130.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.0 m -130.49 109.5 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 m -88.08 153.12 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -95.08 145.27 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.411 HG21 ' O ' ' A' ' 32' ' ' THR . 5.8 m -86.46 27.83 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -135.01 -68.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.11 -9.05 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt 58.85 47.12 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 31.3 m170 -104.14 125.68 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.585 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 86.0 m -81.6 126.74 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 37' ' ' THR . 28.8 m-85 -151.47 127.04 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' PHE . 8.3 m -34.45 142.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 27' ' ' ASP . 8.6 tmtt? -61.15 -34.67 75.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 m -76.77 -34.72 57.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.3 m -68.83 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.54 HG13 ' CE2' ' A' ' 47' ' ' PHE . 7.6 tp -48.93 -45.42 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -65.42 -38.92 91.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -71.72 -29.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.0 m-85 -71.0 -24.74 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -70.1 -40.06 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.26 -43.59 10.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.9 t -127.02 118.23 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -77.23 44.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -145.83 171.41 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 40.2 t -84.05 129.57 58.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -116.23 -68.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 p -92.79 -14.55 27.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.8 m120 63.27 55.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.4 pt -111.84 154.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.33 98.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.357 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -109.32 166.42 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.6 m -105.17 -30.95 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.2 mt -83.72 -64.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.04 -20.47 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 59.41 47.28 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.09 -155.95 9.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -91.44 125.36 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.26 85.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 tp -60.87 -38.87 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -104.57 -36.32 7.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 55.03 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.8 m -85.33 124.04 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.402 HG22 ' C ' ' A' ' 36' ' ' HIS . 67.3 m -113.26 149.94 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' LEU . 17.0 mt -78.85 148.98 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.9 m -92.76 2.63 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.517 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -102.8 -72.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.6 p -84.37 -12.29 54.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 35' ' ' LEU . 3.5 mm? 62.79 51.8 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.483 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 46.1 m170 -110.97 140.63 45.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.4 128.2 34.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 31.5 m-85 -152.97 117.56 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' PHE . 8.6 m -37.81 131.96 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 11.1 tmtt? -43.47 -52.1 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -61.26 -45.15 95.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.11 -66.34 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -46.67 -41.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 t -71.46 -35.05 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.455 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 24.2 ttt180 -75.03 -27.87 60.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.465 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 61.1 t60 -81.28 -26.49 35.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 60' ' ' VAL . 4.5 m-85 -75.24 -27.05 59.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.51 -36.68 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 16.4 m-85 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -125.04 112.18 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -75.68 47.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -147.75 177.65 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' C ' ' H ' ' A' ' 55' ' ' LYS . 17.5 t -95.24 125.79 48.78 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.78 10.45 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 1.8 tttt -114.56 -70.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 p -90.72 -7.12 53.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.9 m-20 62.69 52.92 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 pt -117.73 137.86 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.47 110.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 69.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.815 0.341 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 t -107.4 166.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -107.82 -26.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 38' ' ' PHE . 4.4 mp -83.25 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -92.54 -19.49 21.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 61.52 48.42 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -150.16 152.75 24.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m-85 -34.52 131.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.939 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.57 158.4 27.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.68 -69.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.42 -33.83 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 73.5 51.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.6 m -80.81 98.41 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.2 m -99.53 137.48 37.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' LEU . 7.4 mt -76.66 158.32 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.7 m -101.15 -19.62 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.26 -71.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.9 p -86.98 -10.35 53.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 5.9 mp 62.36 54.41 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.421 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 36.1 m170 -117.85 135.74 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.3 m -85.94 138.02 32.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 40.6 m-85 -153.01 151.0 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.2 m -71.08 128.9 37.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -40.21 -48.9 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -65.07 -49.84 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.7 m -57.37 -65.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' CE2' ' A' ' 47' ' ' PHE . 9.9 tp -42.0 -45.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.453 ' N ' HG21 ' A' ' 43' ' ' ILE . 42.1 t -71.48 -34.8 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.5 ttp85 -72.21 -27.08 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 29.0 t60 -81.53 -30.32 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.6 m-85 -70.59 -24.96 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.31 -44.76 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -92.37 -44.27 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.8 t -124.22 111.95 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -76.02 44.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' NH1' ' CG2' ' A' ' 59' ' ' VAL . 42.9 mtt-85 -145.72 172.36 13.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 21.5 t -84.59 130.19 54.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 53.5 Cg_endo -69.78 8.15 0.84 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.736 2.29 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.1 tptt -115.8 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.413 ' SG ' HG12 ' A' ' 58' ' ' ILE . 3.3 p -87.75 -17.71 31.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 11.9 m120 64.73 54.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.413 HG12 ' SG ' ' A' ' 56' ' ' CYS . 46.0 pt -113.71 154.79 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' CG2' ' NH1' ' A' ' 52' ' ' ARG . 60.6 t -77.68 94.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 p -92.17 -61.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.83 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p 44.26 42.1 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.06 123.44 6.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -148.46 129.67 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.7 p -171.1 166.18 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.69 68.79 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -139.97 122.21 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.5 mp -135.08 131.09 36.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 m -147.16 173.53 12.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -123.36 101.74 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.8 mt -151.47 172.42 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.1 p -45.68 121.29 5.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 3.36 2.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.295 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -76.13 -29.32 57.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.0 mt -38.87 -35.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.57 159.3 1.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.5 132.58 51.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.414 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 1.7 m -63.46 -19.97 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.3 mt -99.43 -65.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -62.77 -27.43 69.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp 62.2 25.1 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.74 -126.88 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -90.88 163.72 14.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 110.95 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.64 166.92 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 mp -120.35 -61.99 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -85.67 -42.14 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.74 47.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.6 m -79.78 114.35 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -95.22 137.37 34.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.7 mt -76.28 145.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 32' ' ' THR . 87.0 m -93.33 11.12 29.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HG2' ' CD1' ' A' ' 58' ' ' ILE . 35.1 tt0 -109.3 -68.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 -2.47 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 57.31 53.76 7.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.575 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 27.8 m170 -112.22 148.41 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.7 m -90.16 128.49 36.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 38.4 m-85 -152.58 133.43 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.24 136.45 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 12.6 tptm -40.54 -55.45 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.3 m -61.66 -38.72 88.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.5 m -62.4 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -57.46 -39.69 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 54.8 t -66.79 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.04 -42.18 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 11.1 t60 -65.64 -28.92 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.4 m-85 -76.37 -15.49 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.93 -37.89 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -95.94 -43.63 7.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.978 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -128.05 126.49 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.84 33.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 63.4 mtm180 -127.41 175.11 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.439 ' C ' ' H ' ' A' ' 55' ' ' LYS . 43.5 t -94.73 126.61 46.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.469 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.77 10.0 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -112.86 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.457 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 5.5 p -93.83 -16.39 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER 73.96 46.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 21.9 pt -110.28 134.66 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 p -72.52 87.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t -69.09 105.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -97.36 56.82 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -105.43 -61.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 p -44.67 -62.11 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.02 133.21 1.81 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.81 12.76 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 tp -110.56 140.0 45.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.4 t -70.78 -48.81 52.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.6 151.58 23.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -169.2 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.6 p -94.72 40.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.7 t -86.61 113.12 22.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.509 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -168.89 159.64 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.935 0.398 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -174.54 166.75 3.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.18 170.28 17.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -153.93 122.98 6.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -95.84 -57.34 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.62 49.74 60.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.46 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -94.77 87.56 5.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -133.14 99.4 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.3 p -120.48 41.34 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -98.05 151.03 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -116.33 53.56 0.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.8 p -56.15 152.56 21.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.556 0.693 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.55 14.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' ILE . 37.1 m-85 -83.11 -35.36 25.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 4.4 mp -36.36 -36.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -51.42 163.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.3 t -97.0 170.23 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -110.2 -26.11 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 54' ' ' PRO . 86.1 mt -90.62 -49.62 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 12.5 p -108.04 4.23 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 37.8 36.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.91 164.85 20.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -46.04 129.41 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 21.2 mt -65.51 86.83 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 27' ' ' ASP . 10.8 tp -58.18 -45.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.5 m-20 -132.0 47.89 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.472 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -31.32 137.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' PHE . 27.8 m -131.65 95.95 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.0 m -61.56 148.44 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' HIS . 65.1 mt -125.85 83.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 31' ' ' ILE . 96.8 m -31.01 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' ILE . 5.8 tp10 -47.18 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.88 26.76 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 40.32 33.27 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 46.7 m170 -104.34 142.43 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -115.07 145.26 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 20.0 m-85 -152.08 147.62 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 m -54.35 145.15 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -52.6 -58.21 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -56.72 -45.63 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.0 m -58.75 -66.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 44' ' ' VAL . 11.3 tp -53.12 -50.92 43.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.516 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 22.5 t -55.65 -41.83 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -70.51 -34.17 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 22.2 t60 -67.9 -36.98 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -71.13 -28.45 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.8 -36.74 77.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -102.65 -45.45 5.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' HIS . 1.7 m -130.53 118.62 21.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 43.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 36.9 mtp180 -129.62 173.43 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -95.73 130.16 32.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.451 ' HG3' ' CD1' ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.78 8.39 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' A' ' 53' ' ' CYS . 7.6 ttmt -113.84 -67.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.1 p -93.44 -21.28 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 16.8 m-80 71.39 54.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.413 HG13 ' CG2' ' A' ' 60' ' ' VAL . 43.3 pt -111.69 137.85 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.5 t -69.91 79.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.413 ' CG2' HG13 ' A' ' 58' ' ' ILE . 61.0 t -72.72 89.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -96.77 84.62 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.75 165.54 13.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.0 p -82.78 95.48 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.71 126.41 87.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 84.24 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.1 tp -56.64 99.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -115.53 89.36 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 69' ' ' PRO . . . 177.83 -142.94 5.85 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.485 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 68' ' ' GLY . 53.6 Cg_endo -69.79 153.66 68.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.6 m -107.42 -50.9 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.1 m -84.97 42.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.52 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -101.26 -53.28 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 m -138.21 127.99 25.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.21 153.81 8.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -173.1 176.77 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -137.14 153.0 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.78 64.0 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -106.26 132.76 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.43 -51.26 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 t -115.16 94.19 4.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -113.34 42.38 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 mt 57.0 42.74 25.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -101.32 142.11 23.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 173.27 11.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.268 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 22.1 t80 -88.73 0.81 56.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.9 mt -66.5 71.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -125.68 -176.77 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.66 167.29 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -109.95 -23.31 11.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.6 -53.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 p -101.94 -14.69 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.68 38.39 25.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.47 -172.36 13.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -68.56 135.89 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.961 0.41 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.11 130.09 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.23 -48.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 10.0 t70 -88.71 -42.4 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 70.63 54.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 38' ' ' PHE . 7.4 m -80.83 110.03 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.2 m -99.78 149.12 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' GLU . 12.0 mt -105.39 92.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.493 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 27.2 m -32.82 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.7 tt0 -49.96 -66.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -108.25 19.12 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 32' ' ' THR . 4.3 mm? 38.27 47.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 39.1 m170 -110.73 130.01 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.0 m -83.33 135.81 34.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 50.5 m-85 -152.59 130.08 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.1 m -47.35 121.25 3.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -41.73 -30.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 p -82.03 -33.72 29.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' CYS . 50.2 m -79.22 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.604 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -38.73 -32.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.11 -41.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.9 mtt-85 -65.76 -43.3 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -57.98 -25.7 61.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CE2' HD12 ' A' ' 43' ' ' ILE . 5.5 m-85 -75.29 -27.23 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -67.81 -31.75 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -101.47 -43.45 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -127.23 115.83 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.33 49.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -151.27 -176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -98.41 135.67 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 9.39 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 53' ' ' CYS . 5.6 mmtm -121.96 -65.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 11.5 p -98.73 3.33 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 13.0 p30 44.41 53.25 7.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.2 pt -104.92 133.15 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.99 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.54 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t -76.6 78.68 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -149.92 140.63 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -120.94 -56.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.8 m -124.29 -56.81 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -155.04 150.74 21.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.581 0.705 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.77 119.05 6.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.71 2.274 . . . . 0.0 112.366 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' PRO . 4.3 mm? -34.83 144.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.1 p -142.51 136.59 29.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.18 143.95 4.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -179.02 2.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.1 p -118.61 125.58 50.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.7 p -144.48 178.16 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.49 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -111.92 176.11 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -122.13 -60.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.66 -52.32 0.83 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.518 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p 38.4 43.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 t -66.05 150.52 48.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.96 160.92 33.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.08 108.63 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -141.91 178.49 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -87.89 145.26 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -121.44 42.15 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 12' ' ' LEU . 4.5 mm? -91.45 92.18 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.7 p -121.09 133.48 24.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -179.05 2.64 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.742 2.295 . . . . 0.0 112.35 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -87.33 40.2 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm -95.1 -28.81 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.32 168.49 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.7 t -110.22 165.46 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -97.52 -26.49 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 54' ' ' PRO . 69.5 mt -92.22 -56.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -80.94 -21.09 40.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.85 31.83 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.33 -154.55 6.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.83 146.9 54.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -91.9 124.66 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -86.75 -65.14 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 28' ' ' ALA . 66.8 m-20 -114.97 52.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -27.29 135.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' PHE . 15.9 m -127.52 96.59 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.6 m -66.72 135.39 53.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' GLU . 44.0 mt -116.49 86.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.4 m -32.09 -35.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -49.43 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -103.89 11.11 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' ILE . 2.9 mm? 53.17 25.06 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 43.4 m170 -90.16 165.56 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 m -130.62 139.19 50.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 15.9 m-85 -152.59 146.94 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 m -54.51 142.02 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -64.55 -11.57 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.1 p -94.89 -42.24 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 43' ' ' ILE . 21.8 p -80.22 -47.15 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.574 HD13 ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -57.93 -39.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 48.1 t -76.32 -36.0 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -76.59 -22.86 53.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 70.2 t60 -71.27 -31.45 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 43' ' ' ILE . 20.5 m-85 -72.29 -24.1 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.42 -44.22 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -98.72 -40.45 8.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -128.13 104.19 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.65 50.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -156.15 137.58 13.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 49.0 t -53.31 127.71 48.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 54.0 Cg_endo -69.73 6.56 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.0 ttmt -108.52 -69.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.2 p -89.94 -21.96 22.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.5 t-20 74.97 51.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 HG13 ' CG2' ' A' ' 60' ' ' VAL . 35.3 pt -109.07 143.58 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.94 89.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 58' ' ' ILE . 96.5 t -96.69 129.99 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' GLN . 10.6 t60 -100.39 -66.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' HIS . 11.6 tt0 -35.25 106.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -80.96 -7.5 59.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -164.55 150.22 8.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -91.2 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.643 2.229 . . . . 0.0 112.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 tp -144.42 130.46 19.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.0 p -107.59 129.92 54.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.49 141.57 47.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.48 14.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.734 2.29 . . . . 0.0 112.319 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -106.99 138.33 43.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.5 p -56.71 163.87 1.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.508 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -171.65 137.37 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -161.11 151.91 18.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.37 109.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -154.88 156.68 36.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 p -174.98 131.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.76 64.73 0.31 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -170.24 117.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -166.37 151.88 8.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 m -80.39 137.6 36.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -126.5 81.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -147.67 164.91 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -72.13 141.37 83.74 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.569 0.699 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 177.28 5.72 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -121.65 -73.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.3 mt -134.73 99.65 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -154.6 -179.92 8.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -113.7 167.52 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -108.4 -28.62 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 54' ' ' PRO . 12.2 mt -87.42 -55.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.1 p -92.75 -20.94 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm 61.33 40.7 13.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.71 160.08 24.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.12 130.99 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.49 114.48 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.1 mm -75.56 -67.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -73.83 -42.14 61.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.55 50.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -81.66 102.22 10.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -98.18 121.54 40.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 32' ' ' THR . 37.2 mt -66.97 163.03 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.408 ' N ' ' CG2' ' A' ' 31' ' ' ILE . 94.5 m -103.17 -35.54 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -51.75 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 35' ' ' LEU . 1.1 p -112.24 29.06 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 34' ' ' CYS . 15.3 mt 28.02 50.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 34' ' ' CYS . 38.5 m170 -108.49 140.58 41.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -85.13 136.74 33.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -152.68 141.15 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.0 m -69.79 155.72 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -66.99 -35.67 80.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -83.56 -9.04 59.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 m -99.29 -52.88 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.571 HG13 ' CE2' ' A' ' 47' ' ' PHE . 9.3 tp -66.01 -41.24 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.9 t -67.48 -38.78 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.51 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -79.14 -34.97 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 77.5 t60 -64.45 -32.43 74.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.571 ' CE2' HG13 ' A' ' 43' ' ' ILE . 8.0 m-85 -72.88 -25.43 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.41 -35.24 78.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 6.2 m-85 -96.62 -43.24 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.1 t -134.94 120.44 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -80.4 42.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 24.0 mtm180 -139.75 164.86 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.3 t -85.78 127.38 62.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.708 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.576 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 54.3 Cg_endo -69.74 8.33 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' CYS . 8.7 mmtp -110.42 -66.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.5 p -94.99 -14.1 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 t-20 70.66 43.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.8 pt -105.9 141.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.89 98.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.6 t -99.61 125.09 53.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -93.85 145.86 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -108.54 146.64 32.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.9 p -128.66 114.99 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.11 121.32 70.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.636 0.731 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -4.15 13.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.47 -54.94 2.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 t 69.02 41.39 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.22 79.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.41 69.34 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.8 m -130.93 42.1 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -42.86 155.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.513 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -163.07 127.86 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -149.48 162.38 40.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.89 70.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -132.9 136.38 46.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -159.02 166.01 32.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.65 104.7 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -149.28 115.98 5.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.4 mt -139.62 132.44 29.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -174.74 126.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -32.85 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.3 tp -175.19 143.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 p -139.62 134.27 16.13 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.624 0.726 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -171.51 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.74 62.31 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.8 mt -72.75 -42.26 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -58.4 170.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t -103.41 169.13 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.408 ' CB ' ' HZ1' ' A' ' 55' ' ' LYS . 13.7 p -97.37 -40.1 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.3 mt -84.77 -69.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.41 -18.7 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt 55.37 40.71 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.16 -149.77 6.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -85.83 138.0 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.933 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.75 145.68 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.32 -64.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -84.23 -35.64 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 69.47 55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 t -78.56 142.39 37.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 31' ' ' ILE . 89.2 m -127.71 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 32' ' ' THR . 23.3 mt -111.76 83.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.528 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.7 m -27.18 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.7 tp10 -33.37 -52.35 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.19 -8.74 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.8 mt 64.35 50.15 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 20.7 m170 -109.16 178.14 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -126.12 138.97 53.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m-85 -153.34 164.15 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.2 m -89.8 162.1 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 56.6 tptt -59.93 -57.55 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -62.49 -40.13 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.89 -53.94 48.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.564 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.0 tp -69.35 -31.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 41.3 t -71.99 -37.92 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -83.34 -42.44 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.567 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 65.6 t60 -52.96 -32.93 48.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -70.28 -24.33 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.93 -36.67 59.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -88.3 -43.95 11.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 t -137.98 143.09 40.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -85.0 -24.32 28.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -71.49 177.26 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 36.2 t -88.73 136.89 30.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.684 0.754 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.3 Cg_endo -69.76 10.44 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -122.66 -70.51 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.9 p -89.39 -13.58 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 m120 62.68 53.26 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.6 pt -107.37 132.93 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.96 91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.6 t -84.63 101.07 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -66.18 136.61 56.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -81.79 131.79 35.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.8 p -106.89 -59.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.06 126.4 27.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.12 54.57 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 tt -45.04 122.69 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.9 p -122.59 -49.25 2.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.7 133.22 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.78 33.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.9 t -161.61 135.38 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 t -126.61 -52.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -174.52 166.25 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -134.24 156.37 48.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.51 -155.58 26.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m 63.17 41.85 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.895 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -60.56 150.89 30.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.14 106.48 2.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 10.3 t-20 -72.43 -64.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER 34.58 53.99 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.428 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 1.5 t -77.19 -66.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' OE1' ' C ' ' A' ' 10' ' ' SER . 34.4 mp0 -159.15 105.04 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.2 mt -129.93 30.45 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.71 159.71 25.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 80.12 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -67.17 179.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.5 mt -104.52 -36.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.184 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt -42.01 162.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -76.71 166.01 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -110.05 -17.73 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.97 -41.19 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.5 p -112.18 2.87 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? 41.48 34.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.96 151.73 17.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -42.84 146.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.976 0.417 . . . . 0.0 110.93 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.34 146.95 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.0 mm -108.08 -61.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.76 -31.69 17.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.93 54.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.5 m -80.49 115.5 20.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 31' ' ' ILE . 85.4 m -105.1 151.18 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 ' N ' HG23 ' A' ' 30' ' ' THR . 2.7 mm -77.68 169.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 m -103.11 -28.76 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -84.36 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -80.83 -20.73 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp 63.14 46.1 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.418 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 30.9 m170 -99.79 134.62 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.7 m -83.91 131.13 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -153.26 133.32 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.7 m -46.48 133.26 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 36.9 tptt -46.13 -46.3 17.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.0 m -66.41 -51.02 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -56.27 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -46.64 -43.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 73.0 t -68.64 -35.52 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -69.85 -37.62 76.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.38 -27.93 65.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.542 ' CE2' HG13 ' A' ' 43' ' ' ILE . 7.5 m-85 -71.27 -25.24 62.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -66.5 -40.61 89.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -90.86 -44.05 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 1.7 m -129.19 117.8 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -75.0 48.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 58' ' ' ILE . 52.1 mtt-85 -148.32 179.95 7.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.5 t -93.55 132.26 30.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 8.92 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 1.8 tptt -116.85 -64.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.13 -15.97 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 56.7 m-20 62.85 54.44 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.408 ' C ' ' HG2' ' A' ' 52' ' ' ARG . 35.6 pt -115.59 137.9 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.11 94.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -96.3 141.76 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -44.24 136.06 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -105.11 73.85 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.6 m -137.14 140.55 41.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.06 152.61 16.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.73 135.81 31.48 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PRO . 7.2 tp -37.79 151.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.5 t -125.37 -58.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.25 135.23 2.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -177.02 1.67 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 t 61.94 43.16 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 p -38.85 -59.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.492 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -172.09 155.3 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -124.08 -23.27 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.41 99.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -161.16 121.06 2.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -88.01 -58.23 2.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.47 89.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -132.42 80.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 tp -174.79 112.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.3 p -123.41 84.92 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -105.71 101.32 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -126.0 40.69 3.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.8 p -144.65 122.83 6.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.55 43.01 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -56.21 132.62 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.5 mt -126.33 -32.6 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.17 167.24 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 9.6 t -97.74 170.32 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -108.13 -27.38 10.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.7 mt -92.27 -49.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.9 p -102.55 -10.81 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 48.35 54.34 10.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -146.85 153.91 25.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.3 m-85 -35.22 139.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.8 mt -83.17 138.64 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.32 -59.91 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 28.2 t0 -82.73 -34.49 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.06 53.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -79.28 134.03 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 31' ' ' ILE . 28.8 m -119.02 145.28 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' GLU . 29.4 mt -106.86 80.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' ILE . 46.2 m -33.41 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ILE . 7.1 tt0 -46.08 -49.71 16.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -124.16 2.81 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' N ' HD21 ' A' ' 35' ' ' LEU . 3.6 mm? 61.96 44.78 7.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 51.6 m170 -114.47 144.09 43.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -104.26 139.27 39.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' CYS . 70.7 m-85 -153.57 121.08 5.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' PHE . 14.9 m -34.63 151.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 19.3 tptp -58.42 -57.23 13.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -58.49 -44.26 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.59 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.573 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.0 tp -54.35 -42.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.9 t -68.04 -33.45 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.73 -23.08 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 23.2 t60 -80.01 -33.13 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -73.4 -27.84 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -61.1 -46.16 91.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -95.35 -44.0 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.8 m -119.56 105.62 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -78.17 41.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -144.23 146.34 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.5 t -68.78 127.68 93.09 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 54.3 Cg_endo -69.72 8.17 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.73 2.287 . . . . 0.0 112.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.559 ' HD3' ' CD2' ' A' ' 36' ' ' HIS . 2.5 tttt -109.76 -70.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -89.77 -10.99 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 2.5 m-20 60.1 53.7 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 38.9 pt -108.86 152.3 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.0 t -78.78 89.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.88 -42.83 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.4 ' CE1' ' HG1' ' A' ' 63' ' ' THR . 16.7 t-160 -102.9 128.75 49.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -39.88 -59.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.4 ' HG1' ' CE1' ' A' ' 61' ' ' HIS . 88.9 m -39.16 134.72 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -81.22 163.06 56.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 4.67 2.05 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.4 mt -148.17 141.59 25.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 t -125.37 83.79 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.25 -169.19 15.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -28.74 24.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.5 m -86.55 -48.44 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -75.99 -61.48 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.512 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -170.14 145.37 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.2 166.52 27.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.16 145.97 8.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -170.08 149.34 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.08 170.8 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.87 -170.01 20.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -145.39 153.68 41.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.41 158.56 16.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -88.19 153.87 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -110.02 -41.59 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -152.18 105.02 3.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -146.1 153.65 49.42 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.599 0.714 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -163.83 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -84.75 43.97 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.5 mt -111.95 67.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.149 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -130.62 -175.64 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -122.2 167.66 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m -110.72 -24.28 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.9 mt -88.42 -53.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 p -112.64 5.39 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 41.85 29.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.84 172.27 20.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.88 144.35 56.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -89.22 126.01 35.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.43 -53.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 12.2 t0 -91.4 -29.63 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.08 54.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.3 m -78.04 102.05 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 31' ' ' ILE . 90.3 m -92.04 154.25 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 32' ' ' THR . 63.2 mt -110.49 83.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.9 m -31.84 -40.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' ILE . 4.1 tp10 -45.25 -60.64 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.8 21.12 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 35' ' ' LEU . 6.7 mp 41.38 37.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 41.3 m170 -101.38 137.18 40.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.5 m -97.35 142.54 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 54.8 m-85 -153.55 117.17 4.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' LYS . 9.7 m -37.12 132.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -37.21 -61.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.9 p -56.39 -45.92 80.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.8 m -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.555 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 10.3 tp -51.61 -26.84 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' N ' HG23 ' A' ' 43' ' ' ILE . 79.8 t -85.42 -29.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -80.73 -34.54 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.492 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 45.3 t60 -69.76 -29.25 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 43' ' ' ILE . 6.4 m-85 -72.65 -26.52 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -65.7 -40.02 91.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -94.81 -43.07 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 t -131.22 117.41 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -79.55 40.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -137.29 179.65 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.5 t -97.1 126.93 40.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 53.8 Cg_endo -69.73 11.69 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.8 tptt -115.15 -70.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.5 p -93.51 -5.4 49.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 9.4 m120 61.82 51.77 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.6 pt -115.92 134.69 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.529 HG22 ' CD2' ' A' ' 61' ' ' HIS . 3.6 p -68.84 108.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.8 t -83.29 124.43 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CD2' HG22 ' A' ' 59' ' ' VAL . 47.8 m170 -111.59 82.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -171.32 144.55 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 45.0 p -113.45 83.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -48.52 141.17 9.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 171.86 13.73 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.0 mt -96.01 41.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -140.09 174.02 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.2 -90.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -177.64 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.24 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 t -97.59 151.91 19.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.7 p -108.62 165.79 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.497 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 53.28 41.78 32.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -92.62 -46.17 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.39 140.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -156.35 171.13 20.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -172.48 174.57 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.23 131.54 3.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.98 112.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pp -153.76 161.53 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.0 m -146.66 165.72 28.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -106.26 -31.39 8.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -164.89 140.9 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.1 p -144.3 130.86 10.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.563 0.697 . . . . 0.0 111.197 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -179.87 3.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.398 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 45.2 p90 -89.37 40.1 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 mt -98.42 -39.46 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.53 178.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 14.2 t -112.28 166.6 11.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -103.3 -31.74 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.6 mt -84.56 -68.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -88.64 -14.43 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 3.5 mppt? 54.25 42.16 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -132.82 151.31 19.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.4 m-85 -33.45 138.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 37' ' ' THR . 9.6 mt -83.82 130.09 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mp -89.29 -48.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.91 -42.57 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' HA ' ' CG2' ' A' ' 37' ' ' THR . . . 73.72 47.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.7 m -80.46 108.8 14.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 30' ' ' THR . 2.4 t -101.28 137.07 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.9 mt -89.05 90.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 31' ' ' ILE . 85.7 m -30.73 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' ILE . 2.5 tp10 -47.09 -51.51 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.55 2.49 8.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 35' ' ' LEU . 3.8 mm? 57.02 47.95 16.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 23.4 m170 -113.74 120.38 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.466 HG22 ' CD1' ' A' ' 25' ' ' LEU . 15.5 m -77.54 141.68 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 66.3 m-85 -153.13 120.3 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.2 m -38.6 131.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 13.8 tptm -39.86 -48.78 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 t -68.76 -40.37 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 m -61.73 -59.24 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 44' ' ' VAL . 9.5 tp -56.37 -52.04 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.512 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 89.2 t -56.12 -42.2 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -75.03 -29.99 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.568 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 57.7 t60 -68.55 -36.08 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -69.73 -21.61 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -78.37 -42.39 30.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -83.68 -43.56 15.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -130.58 139.35 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.41 40.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.542 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 46.3 mtt180 -147.14 170.68 16.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 45.8 t -84.97 132.44 45.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.568 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 54.1 Cg_endo -69.73 11.47 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.411 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 12.8 mmmt -119.58 -66.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.9 p -97.31 -4.65 38.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 34.7 m120 55.43 52.39 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.4 pt -105.76 134.97 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.08 95.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.8 82.45 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -72.58 153.0 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -102.37 159.91 15.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 p -145.0 119.87 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -107.93 141.62 23.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 174.01 10.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.6 mt -67.76 -49.18 63.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 m -58.99 153.04 18.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -119.53 119.85 4.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.94 55.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.8 m -52.47 -58.21 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.5 m -49.95 154.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.459 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -121.54 123.72 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 p -138.86 145.46 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.57 168.9 32.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -151.97 161.72 42.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -125.69 -61.74 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.53 -117.77 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' C ' HD12 ' A' ' 9' ' ' LEU . 20.5 m-80 -142.79 115.4 8.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 8' ' ' ASN . 5.0 mp -149.54 146.59 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' GLU . 35.0 t -90.84 79.06 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' SER . 13.1 pt-20 34.51 40.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.63 90.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.0 p -42.71 142.78 1.3 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 136.92 34.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.407 ' C ' HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -121.09 -72.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 16' ' ' ILE . 1.7 mp -103.85 -33.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -46.77 169.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -94.79 167.37 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -102.9 -28.93 11.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mt -90.63 -60.12 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.8 p -84.01 -21.02 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 60.53 47.64 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -152.66 159.34 28.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 13.2 m-85 -33.97 126.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 4.9 mt -69.77 102.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.76 -53.2 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 28' ' ' ALA . 17.0 m-20 -132.54 52.75 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -30.84 138.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . 95.6 m -125.42 96.17 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -72.36 114.99 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.42 157.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.1 m -100.06 -1.84 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' OE1' ' CD1' ' A' ' 58' ' ' ILE . 18.3 tt0 -96.16 -70.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -92.28 -10.97 36.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 63.06 54.05 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -111.18 157.75 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.8 m -102.1 131.26 48.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 38.9 m-85 -153.05 129.49 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 m -46.75 163.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 19.5 tptm -67.63 -50.52 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.7 p -66.46 -47.23 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.2 m -55.24 -66.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 44' ' ' VAL . 10.9 tp -50.45 -47.97 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 72.4 t -62.61 -33.49 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -78.99 -24.01 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.581 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 19.0 t60 -79.68 -35.37 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.97 -26.52 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.24 -47.22 85.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.81 -44.38 8.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' HIS . 7.8 m -127.01 108.02 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.27 -19.97 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 60.9 mtm180 -73.33 178.85 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' C ' ' H ' ' A' ' 55' ' ' LYS . 48.4 t -98.93 132.01 24.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.581 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.81 11.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 53' ' ' CYS . 6.0 ttmt -118.88 -69.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 p -87.99 -12.14 45.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.1 m120 62.66 49.75 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.418 ' CD1' ' OE1' ' A' ' 33' ' ' GLU . 14.8 pt -116.12 132.79 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.24 83.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.55 126.56 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -45.78 133.16 8.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -93.38 42.89 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.5 m -127.17 110.61 13.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -151.44 142.95 15.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.11 3.84 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.65 137.72 44.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.68 157.99 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.76 103.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -31.83 19.57 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -134.13 124.85 26.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.5 p -60.63 109.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.467 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -42.94 -38.74 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.813 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m 65.43 43.84 3.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.7 98.18 2.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -105.69 93.93 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -68.3 150.31 48.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.54 46.09 3.61 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -156.36 152.66 27.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.374 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -154.1 114.17 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -77.41 -62.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -92.01 111.17 22.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -80.09 97.08 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.2 p -130.33 124.73 21.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.562 0.696 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.13 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -80.08 40.34 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.47 -44.25 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -48.52 175.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -112.6 168.2 9.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -108.55 -24.13 11.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.43 -54.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -99.11 -13.73 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 55.78 42.02 29.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.35 155.19 23.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -39.37 140.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 7.9 mt -79.75 168.6 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.409 HD11 ' N ' ' A' ' 26' ' ' ILE . 5.1 mp -125.59 -58.56 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 9.1 t70 -91.47 -34.68 14.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 70.48 54.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 m -79.46 112.43 16.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.427 HG21 ' N ' ' A' ' 31' ' ' ILE . 61.5 m -111.78 148.4 33.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 35' ' ' LEU . 2.5 mt -86.41 158.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 32' ' ' THR . 41.1 m -98.0 -7.87 29.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -89.62 -73.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.7 p -85.15 -15.68 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 62.91 54.49 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.591 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 25.5 m170 -111.73 133.07 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.5 m -83.64 133.71 34.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 60.3 m-85 -152.98 126.12 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' SG ' ' CD2' ' A' ' 25' ' ' LEU . 8.0 m -43.7 146.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -50.91 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -49.67 -43.35 47.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -58.11 -66.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 HG13 ' CE2' ' A' ' 47' ' ' PHE . 10.2 tp -51.39 -31.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' N ' HG23 ' A' ' 43' ' ' ILE . 81.4 t -79.96 -31.99 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -77.19 -35.0 56.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 70.1 t60 -75.12 -31.82 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.477 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.9 m-85 -73.47 -22.05 60.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.36 -36.59 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -96.14 -42.32 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -126.76 115.79 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.09 45.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -148.42 167.1 26.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 14.0 t -79.9 127.71 76.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.743 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.71 7.56 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.591 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -113.49 -70.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 58' ' ' ILE . 3.5 p -85.6 -24.51 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.9 t-20 72.87 54.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.403 HG22 ' SG ' ' A' ' 56' ' ' CYS . 33.6 pt -119.81 146.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.59 109.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.2 t -115.04 121.59 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -69.93 143.71 52.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -62.8 147.98 48.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.3 m -114.12 122.58 47.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.44 152.85 96.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.05 43.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.3 -178.7 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.7 p -159.49 127.75 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.07 121.45 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 107.03 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 m -134.31 133.22 40.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 m -150.96 164.29 36.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.479 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -172.86 115.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -160.49 169.07 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.01 37.81 1.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -150.17 144.41 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -85.49 166.03 16.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.66 -143.01 10.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -82.19 123.93 29.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -115.97 99.54 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 m -100.94 115.02 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -125.28 -28.82 3.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 mt -107.71 26.4 10.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 p -138.25 150.87 68.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -175.93 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -88.7 78.85 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.8 mp -76.96 -47.49 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 mt -49.15 172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -97.36 168.06 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -103.19 -36.83 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.403 ' CD1' ' HG3' ' A' ' 54' ' ' PRO . 52.9 mt -81.82 -62.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -80.7 -23.17 39.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 60.25 45.73 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.42 169.61 26.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -43.74 131.84 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.62 136.24 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.29 -65.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 2.1 m-20 -93.05 -28.12 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 52.19 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.4 m -80.85 96.61 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 31' ' ' ILE . 61.0 m -90.31 140.82 29.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' N ' HG21 ' A' ' 30' ' ' THR . 3.9 mt -82.76 152.29 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.3 m -96.71 -12.45 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -81.33 -71.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 p -85.31 -10.33 56.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mm? 62.78 53.14 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 55' ' ' LYS . 48.6 m170 -117.62 145.83 44.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -91.36 131.32 36.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.459 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -153.18 129.27 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' PHE . 23.0 m -48.84 179.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 22.7 tptp -80.25 -63.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 48.4 t -60.2 -19.8 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.7 m -78.54 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.588 HG13 ' CE2' ' A' ' 47' ' ' PHE . 10.5 tp -69.32 -39.06 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -67.55 -28.88 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.48 ' N ' HG13 ' A' ' 44' ' ' VAL . 27.5 ttt180 -88.45 -48.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 30.8 t60 -48.48 -26.86 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CE2' HG13 ' A' ' 43' ' ' ILE . 9.6 m-85 -74.88 -31.64 61.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -62.52 -36.34 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -96.74 -44.51 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.6 t -128.99 115.81 18.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -77.36 42.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.485 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 67.5 mtt180 -144.11 177.02 8.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 23.2 t -95.12 130.37 32.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 54.3 Cg_endo -69.75 7.99 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 53' ' ' CYS . 4.7 ttmt -116.19 -68.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.6 p -89.68 -19.85 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 47.6 t30 66.8 54.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.0 pt -116.08 137.85 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.41 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.8 t -87.89 131.75 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -60.49 176.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -130.66 107.54 9.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 45.7 p -126.25 150.12 48.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -132.9 152.65 80.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 168.14 22.38 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tp -106.35 41.51 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -121.65 149.16 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 70' ' ' SER . . . -73.57 143.46 32.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.9 Cg_endo -69.79 11.8 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.331 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 69' ' ' PRO . 20.9 t -28.05 96.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' PRO . 23.8 m -100.46 175.69 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -153.67 132.12 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -161.15 173.38 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.42 -175.67 30.63 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -143.18 144.46 32.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -150.49 177.08 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.73 175.31 42.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -123.99 170.88 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -120.88 131.88 54.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -73.75 172.33 11.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -106.92 35.39 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt -152.6 106.23 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.1 p -134.55 151.64 76.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 140.25 42.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 2.6 p90 -83.26 40.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.3 mm -106.0 95.8 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -153.34 -178.88 7.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -114.37 168.35 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 t -103.81 -35.44 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mt -82.56 -64.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -81.84 -22.33 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 61.57 41.36 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -136.79 156.29 23.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 14.8 m-85 -33.98 137.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 37' ' ' THR . 6.1 mt -81.96 131.49 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.35 -59.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 36.6 t0 -77.17 -46.68 22.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 74.98 48.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.9 m -79.71 102.46 9.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 31' ' ' ILE . 87.5 m -96.49 141.71 29.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 47.2 mt -100.41 89.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' ILE . 98.6 m -31.79 -40.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' ILE . 5.5 tp10 -41.84 -56.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -118.36 15.01 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 44.25 44.85 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.64 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 34.4 m170 -110.05 129.74 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.439 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 20.3 m -84.84 141.4 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 61.1 m-85 -152.87 135.35 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' HG21 ' A' ' 43' ' ' ILE . 10.6 m -61.5 140.21 58.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 16.0 tptm -47.05 -60.22 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -57.15 -43.66 82.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.0 m -61.6 -67.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.413 HG21 ' O ' ' A' ' 39' ' ' CYS . 7.2 tp -52.48 -44.95 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 40' ' ' LYS . 43.5 t -60.09 -45.22 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -72.78 -28.83 62.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 84.9 t60 -67.92 -37.56 81.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.69 -26.42 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.44 -39.6 91.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -91.22 -44.47 9.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -136.92 119.54 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -76.55 44.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -137.4 177.47 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.8 t -91.19 129.93 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.75 4.33 2.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -109.91 -71.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.8 p -87.89 -25.21 23.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.1 m-20 73.36 51.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 47.8 pt -105.82 138.69 29.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.16 91.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.59 144.65 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -120.82 178.52 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 62.42 48.04 4.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 m -56.41 114.38 1.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -40.37 129.99 1.72 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 166.3 27.99 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 67' ' ' SER . 1.9 pp -83.12 27.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 66' ' ' LEU . 8.7 t -33.25 -49.21 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.94 102.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.34 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -77.57 131.72 37.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.2 m -155.18 111.46 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.494 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -135.94 159.61 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.937 0.399 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -149.41 164.72 34.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.13 133.26 3.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -171.91 134.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -122.07 153.03 39.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.49 -85.13 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.5 178.64 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.452 ' N ' HD13 ' A' ' 9' ' ' LEU . 6.4 mp -109.4 143.55 38.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' GLU . 50.4 m -124.53 169.36 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' SER . 7.2 pt-20 -37.65 154.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' C ' HG22 ' A' ' 13' ' ' THR . 2.4 pt? -90.19 133.22 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.415 HG22 ' C ' ' A' ' 12' ' ' LEU . 74.9 p -146.47 145.84 25.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.553 0.692 . . . . 0.0 111.201 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.87 2.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -83.63 30.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 mm -119.06 -56.89 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 mt -50.05 171.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.7 t -103.06 164.77 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -92.99 -31.67 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.564 HD11 ' CD1' ' A' ' 38' ' ' PHE . 17.8 mt -90.24 -62.47 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -71.71 -30.99 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt 63.01 47.11 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -159.79 159.5 30.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' GLY . 30.8 m-85 -34.89 143.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -86.37 162.96 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.99 -55.75 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 40' ' ' LYS . 8.2 t0 -96.89 -35.96 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 70.71 54.63 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -80.04 99.6 7.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 m -92.82 132.1 37.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.442 ' CG2' ' H ' ' A' ' 32' ' ' THR . 27.3 mt -70.46 168.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.442 ' H ' ' CG2' ' A' ' 31' ' ' ILE . 32.9 m -108.6 -38.23 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' CG ' HD12 ' A' ' 58' ' ' ILE . 11.8 tt0 -59.24 -72.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -86.33 -14.41 43.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt 64.03 53.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -109.22 164.78 12.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.3 m -111.14 129.62 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CD1' HD11 ' A' ' 20' ' ' ILE . 55.2 m-85 -153.71 131.12 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m -48.92 122.97 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 11.9 tmtt? -39.03 -27.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' CYS . 4.0 m -79.36 -67.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 44' ' ' VAL . 9.8 tp -56.02 -46.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 30.0 t -72.19 -32.15 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.442 ' HD2' ' C ' ' A' ' 45' ' ' ARG . 4.9 tmm_? -69.08 -32.26 71.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -79.39 -30.87 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.537 ' CE1' ' HB ' ' A' ' 60' ' ' VAL . 8.1 m-85 -74.77 -26.17 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.54 -37.63 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -107.5 -45.1 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 55.0 m -105.85 105.13 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -74.47 47.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -155.05 157.85 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.0 t -74.94 127.63 86.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -112.79 -67.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 5.8 p -96.4 -16.17 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 8.5 m120 69.27 51.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.447 HD12 ' CG ' ' A' ' 33' ' ' GLU . 38.2 pt -110.38 152.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.57 100.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.537 ' HB ' ' CE1' ' A' ' 47' ' ' PHE . 86.5 t -114.71 81.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -89.56 162.52 15.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -135.45 168.46 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.0 p -132.76 117.35 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -103.0 134.79 19.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.711 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 156.17 64.06 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.3 mt -50.66 -48.4 58.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.8 m -116.88 157.92 24.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.69 -80.94 1.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 164.15 35.59 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.75 2.3 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 m -136.2 138.08 41.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.2 t -141.64 107.8 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.487 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 p -166.03 165.17 18.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.36 161.07 21.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 136.76 2.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -149.7 108.9 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -142.9 171.88 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.65 -165.7 13.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.417 ' C ' ' HG ' ' A' ' 9' ' ' LEU . 20.8 t30 -150.69 110.87 4.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' HG ' ' C ' ' A' ' 8' ' ' ASN . 6.4 mt -148.52 128.89 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t -157.34 125.48 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -134.2 127.86 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.56 134.67 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.8 p -60.24 148.57 78.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 111.176 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.09 32.09 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.623 2.215 . . . . 0.0 112.359 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -84.54 -74.19 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' CG2' HD12 ' A' ' 25' ' ' LEU . 52.0 mt -145.15 105.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt -144.64 173.1 12.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 38.5 t -100.7 165.63 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 m -106.15 -28.98 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mt -80.58 -63.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -87.06 -19.18 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 29.1 mmmt 62.85 39.45 10.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.22 -132.19 3.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -111.58 135.34 52.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 0.0 110.912 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 HD12 ' CG2' ' A' ' 16' ' ' ILE . 3.1 mt -78.36 112.78 15.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.29 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 30.2 t70 -79.71 -36.59 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 72.4 54.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 t -78.83 151.27 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.5 m -150.81 133.88 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 mt -100.14 88.01 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 31' ' ' ILE . 33.2 m -31.37 -43.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' THR . 8.4 tt0 -34.49 -50.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -117.02 -8.59 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt 64.05 44.22 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 39.6 m170 -108.49 133.46 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 9.2 m -87.57 144.78 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 57.3 m-85 -152.54 163.21 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 m -91.04 158.24 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 20.9 tptm -55.48 -63.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 m -57.0 -34.88 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.0 m -65.35 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.581 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -59.61 -27.07 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' N ' HG23 ' A' ' 43' ' ' ILE . 75.5 t -82.98 -33.48 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.57 -31.77 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 75.1 t60 -76.28 -37.28 57.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.4 m-85 -69.42 -18.08 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' A' ' 44' ' ' VAL . 3.3 m-85 -72.39 -44.62 62.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -95.58 -44.25 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -118.75 117.54 29.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.58 43.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 26.4 mtt180 -147.11 157.24 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 19.5 t -67.49 124.13 88.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.58 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.79 7.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 53' ' ' CYS . 1.4 tptm -108.63 -70.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.9 -14.08 37.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 12.4 m120 71.85 50.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 pt -117.08 133.55 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.488 ' N ' ' HG2' ' A' ' 52' ' ' ARG . 7.2 p -75.25 115.87 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 61' ' ' HIS . 61.7 t -99.8 143.19 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 60' ' ' VAL . 71.3 t60 -46.71 107.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -93.09 177.09 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 m -101.32 108.36 19.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.453 ' CD ' ' HD2' ' A' ' 65' ' ' PRO . 8.1 tp60 -103.35 141.84 23.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 64' ' ' GLN . 54.1 Cg_endo -69.76 -165.76 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 66' ' ' LEU . 4.3 mm? -71.32 -47.68 55.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -64.61 103.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 70' ' ' SER . . . 172.76 -147.22 9.62 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 12.63 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 68' ' ' GLY . 15.8 m -85.91 -60.87 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.5 p -84.0 87.36 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.494 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -85.03 -57.84 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -169.21 174.53 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.17 -129.74 5.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -173.65 157.85 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -139.48 171.76 13.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.93 176.14 31.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -174.39 111.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.1 mt -142.12 156.67 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.6 t -171.64 154.74 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.49 4.86 36.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.9 176.08 5.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -40.18 116.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 3.53 2.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.306 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' ILE . 40.5 m-85 -72.45 -49.88 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' TYR . 1.8 mp -33.89 -51.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.3 mt -53.85 177.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 t -113.72 167.45 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.05 -24.82 13.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mt -93.74 -64.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.34 -15.49 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt 56.33 42.8 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.66 161.22 25.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -45.83 145.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.8 147.73 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.55 -54.13 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.33 -33.57 15.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 67.97 54.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.2 m -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.0 m -110.41 135.74 50.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.41 ' CG2' ' H ' ' A' ' 32' ' ' THR . 20.4 mt -73.03 168.91 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.41 ' H ' ' CG2' ' A' ' 31' ' ' ILE . 89.0 m -108.69 -39.02 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -54.91 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.8 p -87.71 -22.97 24.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tp 72.53 52.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.459 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 36.9 m170 -111.98 141.59 45.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.9 m -87.36 131.12 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -153.66 136.45 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.8 m -55.19 126.35 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.21 -50.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -62.63 -46.67 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.0 m -58.51 -62.76 1.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.1 tp -48.52 -39.21 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' N ' HG21 ' A' ' 43' ' ' ILE . 45.8 t -75.37 -33.26 27.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 45' ' ' ARG . 6.4 ttp85 -76.12 -25.5 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -79.08 -28.05 43.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 43' ' ' ILE . 11.0 m-85 -70.31 -25.77 63.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -65.23 -39.78 93.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -92.51 -43.05 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -132.91 116.87 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.02 43.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -142.8 -178.35 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.4 t -95.41 132.38 27.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.66 5.4 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.394 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.4 ttmt -115.78 -70.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.2 p -87.18 -26.78 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.5 m-20 75.07 54.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.2 pt -116.25 134.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.63 94.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -89.03 88.87 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -81.3 43.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -101.7 158.87 15.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.5 m 67.33 45.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -84.35 138.24 39.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.31 35.29 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.59 109.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.5 p -59.44 125.39 23.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.15 171.13 36.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 2.08 3.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.1 p -116.64 133.45 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -135.01 126.47 28.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.456 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -140.98 144.83 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -172.78 147.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.43 149.73 21.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -150.98 143.14 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -131.32 103.24 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.76 44.25 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -99.67 135.54 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -174.09 156.09 2.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.8 m -148.71 123.55 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -145.14 115.27 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.85 76.81 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.2 p -142.03 154.7 65.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 124.97 11.64 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.38 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -96.09 121.05 37.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.9 mt -76.62 -26.77 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.08 177.02 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' CB ' ' SG ' ' A' ' 21' ' ' CYS . 10.2 t -108.53 168.28 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -102.79 -33.13 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mt -87.39 -59.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 18' ' ' CYS . 19.4 p -80.57 -19.44 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 58.61 47.69 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -150.25 -152.58 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -62.75 127.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.47 85.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 8.3 mt -70.78 126.72 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.1 t0 42.56 41.19 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -24.92 130.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.0 m -130.49 109.5 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 m -88.08 153.12 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -95.08 145.27 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.411 HG21 ' O ' ' A' ' 32' ' ' THR . 5.8 m -86.46 27.83 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -135.01 -68.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -89.11 -9.05 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt 58.85 47.12 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 31.3 m170 -104.14 125.68 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.585 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 86.0 m -81.6 126.74 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 37' ' ' THR . 28.8 m-85 -151.47 127.04 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' PHE . 8.3 m -34.45 142.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 27' ' ' ASP . 8.6 tmtt? -61.15 -34.67 75.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 m -76.77 -34.72 57.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.3 m -68.83 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.54 HG13 ' CE2' ' A' ' 47' ' ' PHE . 7.6 tp -48.93 -45.42 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.8 t -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -65.42 -38.92 91.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -71.72 -29.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.0 m-85 -71.0 -24.74 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -70.1 -40.06 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.26 -43.59 10.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.9 t -127.02 118.23 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -77.23 44.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -145.83 171.41 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 40.2 t -84.05 129.57 58.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -116.23 -68.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 p -92.79 -14.55 27.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.8 m120 63.27 55.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.4 pt -111.84 154.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.33 98.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.6 t -100.09 -51.36 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 62' ' ' GLN . 3.0 t-160 -61.1 -43.57 98.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 61' ' ' HIS . 13.5 pt20 32.99 44.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.8 m -123.73 110.87 15.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -43.52 132.78 3.68 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 153.72 68.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 pp -110.51 133.81 52.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.3 m -59.32 -52.14 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 69' ' ' PRO . . . -37.64 107.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 68' ' ' GLY . 53.9 Cg_endo -69.74 -173.96 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.381 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -103.72 124.45 48.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.8 t -85.39 -58.63 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.481 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -125.26 147.81 48.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 110.877 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -169.19 162.73 10.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.12 149.88 6.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -104.34 114.74 29.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -86.19 -48.12 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 161.05 45.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -136.22 167.62 20.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -88.98 130.93 35.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -134.33 80.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -157.39 105.21 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.26 103.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.4 p -132.88 149.76 73.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 85.78 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -53.26 101.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.79 99.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -153.33 178.53 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -109.32 166.42 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.6 m -105.17 -30.95 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.2 mt -83.72 -64.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.04 -20.47 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 59.41 47.28 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.09 -155.95 9.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -91.44 125.36 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.26 85.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.0 tp -60.87 -38.87 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -104.57 -36.32 7.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 55.03 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.8 m -85.33 124.04 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.402 HG22 ' C ' ' A' ' 36' ' ' HIS . 67.3 m -113.26 149.94 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' LEU . 17.0 mt -78.85 148.98 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.9 m -92.76 2.63 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.517 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -102.8 -72.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.6 p -84.37 -12.29 54.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 35' ' ' LEU . 3.5 mm? 62.79 51.8 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.483 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 46.1 m170 -110.97 140.63 45.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.4 128.2 34.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 31.5 m-85 -152.97 117.56 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' PHE . 8.6 m -37.81 131.96 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 11.1 tmtt? -43.47 -52.1 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -61.26 -45.15 95.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.11 -66.34 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.559 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -46.67 -41.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 t -71.46 -35.05 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.455 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 24.2 ttt180 -75.03 -27.87 60.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.465 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 61.1 t60 -81.28 -26.49 35.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' CZ ' ' HB ' ' A' ' 60' ' ' VAL . 4.5 m-85 -75.24 -27.05 59.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.51 -36.68 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 16.4 m-85 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -125.04 112.18 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -75.68 47.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -147.75 177.65 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' C ' ' H ' ' A' ' 55' ' ' LYS . 17.5 t -95.24 125.79 48.78 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.78 10.45 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 38' ' ' PHE . 1.8 tttt -114.56 -70.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 p -90.72 -7.12 53.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.9 m-20 62.69 52.92 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.4 pt -117.73 137.86 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.47 110.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 69.8 t -105.71 116.62 49.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.63 75.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -160.33 122.44 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.5 m -86.78 -52.64 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -154.56 151.81 24.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.28 30.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 pp -46.19 -39.82 10.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -83.88 80.7 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.96 101.24 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 107.07 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.5 m -49.87 107.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 t -137.39 140.04 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.51 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t 67.03 42.66 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 m -144.03 174.6 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.44 125.38 2.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -159.11 119.0 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 p -172.08 136.67 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.99 54.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -128.96 102.17 6.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pp -145.39 127.41 15.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -167.21 107.44 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -122.65 132.79 54.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.42 105.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.3 p -131.09 153.4 81.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.562 0.696 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 172.88 11.81 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.601 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 17.5 p90 -78.08 47.2 0.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.0 mm -111.15 -44.07 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.8 176.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 t -107.4 166.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -107.82 -26.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 38' ' ' PHE . 4.4 mp -83.25 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -92.54 -19.49 21.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 61.52 48.42 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -150.16 152.75 24.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m-85 -34.52 131.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.939 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.57 158.4 27.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.68 -69.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -83.42 -33.83 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 73.5 51.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.6 m -80.81 98.41 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.2 m -99.53 137.48 37.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' LEU . 7.4 mt -76.66 158.32 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.7 m -101.15 -19.62 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -72.26 -71.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.9 p -86.98 -10.35 53.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 5.9 mp 62.36 54.41 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.421 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 36.1 m170 -117.85 135.74 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.3 m -85.94 138.02 32.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.526 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 40.6 m-85 -153.01 151.0 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.2 m -71.08 128.9 37.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -40.21 -48.9 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -65.07 -49.84 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.7 m -57.37 -65.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' CE2' ' A' ' 47' ' ' PHE . 9.9 tp -42.0 -45.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.453 ' N ' HG21 ' A' ' 43' ' ' ILE . 42.1 t -71.48 -34.8 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.5 ttp85 -72.21 -27.08 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 29.0 t60 -81.53 -30.32 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.497 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.6 m-85 -70.59 -24.96 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.31 -44.76 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -92.37 -44.27 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.8 t -124.22 111.95 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -76.02 44.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' NH1' ' CG2' ' A' ' 59' ' ' VAL . 42.9 mtt-85 -145.72 172.36 13.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 21.5 t -84.59 130.19 54.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 53.5 Cg_endo -69.78 8.15 0.84 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.736 2.29 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.1 tptt -115.8 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.413 ' SG ' HG12 ' A' ' 58' ' ' ILE . 3.3 p -87.75 -17.71 31.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 11.9 m120 64.73 54.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.413 HG12 ' SG ' ' A' ' 56' ' ' CYS . 46.0 pt -113.71 154.79 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' CG2' ' NH1' ' A' ' 52' ' ' ARG . 60.6 t -77.68 94.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.89 98.53 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -149.67 109.52 4.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -56.23 95.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.7 t -49.51 120.75 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.451 ' C ' ' H ' ' A' ' 66' ' ' LEU . 8.3 tp60 -167.05 139.08 2.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.71 12.09 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.38 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.498 ' CD2' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -171.13 109.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -57.05 167.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.05 70.78 0.44 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.58 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.9 t 47.23 40.93 11.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -133.43 153.47 51.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.5 132.58 51.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 1.7 m -63.46 -19.97 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 42' ' ' CYS . 66.3 mt -99.43 -65.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -62.77 -27.43 69.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp 62.2 25.1 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.74 -126.88 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -90.88 163.72 14.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 110.95 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.64 166.92 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.5 mp -120.35 -61.99 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.2 t0 -85.67 -42.14 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.74 47.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.6 m -79.78 114.35 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -95.22 137.37 34.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 33' ' ' GLU . 23.7 mt -76.28 145.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.71 ' O ' HG22 ' A' ' 32' ' ' THR . 87.0 m -93.33 11.12 29.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.741 ' H ' HG22 ' A' ' 31' ' ' ILE . 35.1 tt0 -109.3 -68.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 -2.47 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.1 mm? 57.31 53.76 7.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.59 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 27.8 m170 -112.22 148.41 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.7 m -90.16 128.49 36.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 38.4 m-85 -152.58 133.43 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.24 136.45 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 tptm -40.54 -55.45 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.3 m -61.66 -38.72 88.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.576 ' HB3' HD12 ' A' ' 20' ' ' ILE . 3.5 m -62.4 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -57.46 -39.69 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' LYS . 54.8 t -66.79 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.04 -42.18 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.611 ' CD2' ' HB3' ' A' ' 54' ' ' PRO . 21.3 t-80 -65.64 -28.92 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.4 m-85 -76.37 -15.49 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.93 -37.89 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -95.94 -43.63 7.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.978 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -128.05 126.49 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.84 33.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.522 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 63.4 mtm180 -127.41 175.11 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 43.5 t -94.73 126.61 46.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.611 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.77 10.0 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.59 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -112.86 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.578 ' SG ' HG23 ' A' ' 58' ' ' ILE . 5.5 p -93.83 -16.39 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER 73.96 46.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.578 HG23 ' SG ' ' A' ' 56' ' ' CYS . 21.9 pt -110.28 134.66 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 59' ' ' VAL . 3.0 p -72.52 87.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.3 t -97.0 170.23 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -110.2 -26.11 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.955 HD11 ' HG3' ' A' ' 54' ' ' PRO . 86.1 mt -90.62 -49.62 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 12.5 p -108.04 4.23 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 37.8 36.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.91 164.85 20.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -46.04 129.41 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 21.2 mt -65.51 86.83 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.8 tp -58.18 -45.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 26' ' ' ILE . 1.5 m-20 -132.0 47.89 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . . . -31.32 137.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' PHE . 27.8 m -131.65 95.95 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.0 m -61.56 148.44 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' HIS . 65.1 mt -125.85 83.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 31' ' ' ILE . 96.8 m -31.01 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HG2' HD12 ' A' ' 58' ' ' ILE . 5.8 tp10 -47.18 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.88 26.76 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 40.32 33.27 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 46.7 m170 -104.34 142.43 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -115.07 145.26 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 20.0 m-85 -152.08 147.62 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.568 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.5 m -54.35 145.15 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -52.6 -58.21 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -56.72 -45.63 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HB3' HD12 ' A' ' 20' ' ' ILE . 44.0 m -58.75 -66.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 44' ' ' VAL . 11.3 tp -53.12 -50.92 43.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.633 ' N ' HG23 ' A' ' 43' ' ' ILE . 22.5 t -55.65 -41.83 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -70.51 -34.17 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 52' ' ' ARG . 55.2 t-80 -67.9 -36.98 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -71.13 -28.45 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.8 -36.74 77.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -102.65 -45.45 5.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' HIS . 1.7 m -130.53 118.62 21.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 43.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 36.9 mtp180 -129.62 173.43 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -95.73 130.16 32.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.955 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.78 8.39 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -113.84 -67.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 58' ' ' ILE . 7.1 p -93.44 -21.28 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 16.8 m-80 71.39 54.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.6 HD12 ' HG2' ' A' ' 33' ' ' GLU . 43.3 pt -111.69 137.85 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.5 t -69.91 79.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 58' ' ' ILE . 61.0 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.905 0.384 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.66 167.29 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -109.95 -23.31 11.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.496 HD11 ' HG3' ' A' ' 54' ' ' PRO . 5.3 mp -89.6 -53.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 p -101.94 -14.69 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.68 38.39 25.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.47 -172.36 13.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -68.56 135.89 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.961 0.41 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.854 HD23 ' SG ' ' A' ' 39' ' ' CYS . 8.8 mt -82.11 130.09 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.23 -48.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 10.0 t70 -88.71 -42.4 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.63 54.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 38' ' ' PHE . 7.4 m -80.83 110.03 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.2 m -99.78 149.12 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' GLU . 12.0 mt -105.39 92.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.704 ' O ' HD22 ' A' ' 35' ' ' LEU . 27.2 m -32.82 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.7 tt0 -49.96 -66.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -108.25 19.12 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 32' ' ' THR . 4.3 mm? 38.27 47.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 39.1 m170 -110.73 130.01 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.0 m -83.33 135.81 34.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 50.5 m-85 -152.59 130.08 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.854 ' SG ' HD23 ' A' ' 25' ' ' LEU . 9.1 m -47.35 121.25 3.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -41.73 -30.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 p -82.03 -33.72 29.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' CYS . 50.2 m -79.22 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.642 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -38.73 -32.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.11 -41.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.9 mtt-85 -65.76 -43.3 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -57.98 -25.7 61.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CE2' HD12 ' A' ' 43' ' ' ILE . 5.5 m-85 -75.29 -27.23 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -67.81 -31.75 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -101.47 -43.45 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -127.23 115.83 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.33 49.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -151.27 -176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -98.41 135.67 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.7 Cg_endo -69.8 9.39 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -121.96 -65.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.58 ' SG ' HG23 ' A' ' 58' ' ' ILE . 11.5 p -98.73 3.33 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.8 p-10 44.41 53.25 7.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.58 HG23 ' SG ' ' A' ' 56' ' ' CYS . 34.2 pt -104.92 133.15 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.99 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.7 t -110.22 165.46 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -97.52 -26.49 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.731 HD11 ' HG3' ' A' ' 54' ' ' PRO . 69.5 mt -92.22 -56.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -80.94 -21.09 40.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.85 31.83 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.33 -154.55 6.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.83 146.9 54.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -91.9 124.66 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -86.75 -65.14 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 28' ' ' ALA . 66.8 m-20 -114.97 52.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 37' ' ' THR . . . -27.29 135.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' PHE . 15.9 m -127.52 96.59 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.6 m -66.72 135.39 53.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' GLU . 44.0 mt -116.49 86.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.557 ' O ' HD22 ' A' ' 35' ' ' LEU . 95.4 m -32.09 -35.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.748 ' HG3' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -49.43 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -103.89 11.11 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 32' ' ' THR . 2.9 mm? 53.17 25.06 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 43.4 m170 -90.16 165.56 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.792 ' CG2' ' HB1' ' A' ' 28' ' ' ALA . 22.2 m -130.62 139.19 50.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 15.9 m-85 -152.59 146.94 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 m -54.51 142.02 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HE2' HG21 ' A' ' 44' ' ' VAL . 20.3 tptm -64.55 -11.57 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.1 p -94.89 -42.24 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' HB2' HG21 ' A' ' 20' ' ' ILE . 21.8 p -80.22 -47.15 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.575 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -57.93 -39.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 48.1 t -76.32 -36.0 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -76.59 -22.86 53.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.486 ' CE1' ' O ' ' A' ' 52' ' ' ARG . 54.5 t-80 -71.27 -31.45 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' A' ' 43' ' ' ILE . 20.5 m-85 -72.29 -24.1 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.42 -44.22 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -98.72 -40.45 8.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -128.13 104.19 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.65 50.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 27.1 mtt85 -156.15 137.58 13.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 49.0 t -53.31 127.71 48.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.731 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.0 Cg_endo -69.73 6.56 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.523 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.0 ttmt -108.52 -69.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.2 p -89.94 -21.96 22.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.5 t-20 74.97 51.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.764 HG13 HG23 ' A' ' 60' ' ' VAL . 35.3 pt -109.07 143.58 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.94 89.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 58' ' ' ILE . 96.5 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -113.7 167.52 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -108.4 -28.62 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.801 HD11 ' HG3' ' A' ' 54' ' ' PRO . 12.2 mt -87.42 -55.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.1 p -92.75 -20.94 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm 61.33 40.7 13.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.71 160.08 24.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.12 130.99 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' SG ' ' A' ' 39' ' ' CYS . 4.5 mt -74.49 114.48 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.1 mm -75.56 -67.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.7 t70 -73.83 -42.14 61.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.55 50.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -81.66 102.22 10.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -98.18 121.54 40.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 32' ' ' THR . 37.2 mt -66.97 163.03 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.57 ' N ' HG22 ' A' ' 31' ' ' ILE . 94.5 m -103.17 -35.54 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' ILE . 10.5 tt0 -51.75 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 35' ' ' LEU . 1.1 p -112.24 29.06 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 34' ' ' CYS . 15.3 mt 28.02 50.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 34' ' ' CYS . 38.5 m170 -108.49 140.58 41.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -85.13 136.74 33.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 61.7 m-85 -152.68 141.15 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.727 ' O ' HG22 ' A' ' 43' ' ' ILE . 10.0 m -69.79 155.72 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HE3' HG21 ' A' ' 44' ' ' VAL . 32.0 tptt -66.99 -35.67 80.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -83.56 -9.04 59.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 m -99.29 -52.88 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 39' ' ' CYS . 9.3 tp -66.01 -41.24 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.479 HG21 ' HE3' ' A' ' 40' ' ' LYS . 83.9 t -67.48 -38.78 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.51 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -79.14 -34.97 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.472 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 56.2 t-80 -64.45 -32.43 74.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.646 ' CZ ' HD11 ' A' ' 43' ' ' ILE . 8.0 m-85 -72.88 -25.43 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.41 -35.24 78.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 6.2 m-85 -96.62 -43.24 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.1 t -134.94 120.44 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -80.4 42.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -139.75 164.86 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.3 t -85.78 127.38 62.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.708 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.801 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.3 Cg_endo -69.74 8.33 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -110.42 -66.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.575 ' SG ' HG23 ' A' ' 58' ' ' ILE . 4.5 p -94.99 -14.1 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 t-20 70.66 43.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.575 HG23 ' SG ' ' A' ' 56' ' ' CYS . 23.8 pt -105.9 141.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.89 98.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG23 HG13 ' A' ' 58' ' ' ILE . 59.6 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.819 0.343 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t -103.41 169.13 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -97.37 -40.1 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.81 HD11 ' HG3' ' A' ' 54' ' ' PRO . 21.3 mt -84.77 -69.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.41 -18.7 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt 55.37 40.71 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.16 -149.77 6.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -85.83 138.0 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.933 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 39' ' ' CYS . 12.5 mt -76.75 145.68 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.32 -64.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 21.5 t0 -84.23 -35.64 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 69.47 55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 38' ' ' PHE . 1.3 t -78.56 142.39 37.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 36' ' ' HIS . 89.2 m -127.71 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 32' ' ' THR . 23.3 mt -111.76 83.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.528 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.7 m -27.18 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.7 tp10 -33.37 -52.35 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.19 -8.74 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 35' ' ' LEU . 9.8 mt 64.35 50.15 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.866 ' O ' HG23 ' A' ' 30' ' ' THR . 20.7 m170 -109.16 178.14 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -126.12 138.97 53.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m-85 -153.34 164.15 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 25' ' ' LEU . 10.2 m -89.8 162.1 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.747 ' O ' HG23 ' A' ' 44' ' ' VAL . 56.6 tptt -59.93 -57.55 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -62.49 -40.13 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.89 -53.94 48.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.0 tp -69.35 -31.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 40' ' ' LYS . 41.3 t -71.99 -37.92 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -83.34 -42.44 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.561 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 65.6 t60 -52.96 -32.93 48.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -70.28 -24.33 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.93 -36.67 59.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -88.3 -43.95 11.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 t -137.98 143.09 40.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -85.0 -24.32 28.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.528 ' NH1' HG23 ' A' ' 59' ' ' VAL . 66.8 mtt-85 -71.49 177.26 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 36.2 t -88.73 136.89 30.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.684 0.754 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.81 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.3 Cg_endo -69.76 10.44 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -122.66 -70.51 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.481 ' SG ' HG23 ' A' ' 58' ' ' ILE . 7.9 p -89.39 -13.58 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 m120 62.68 53.26 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.481 HG23 ' SG ' ' A' ' 56' ' ' CYS . 32.6 pt -107.37 132.93 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.528 HG23 ' NH1' ' A' ' 52' ' ' ARG . 69.0 t -56.96 91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 58' ' ' ILE . 86.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -76.71 166.01 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -110.05 -17.73 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.444 HD11 ' HG3' ' A' ' 54' ' ' PRO . 66.9 mt -97.97 -41.19 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.5 p -112.18 2.87 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? 41.48 34.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.96 151.73 17.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -42.84 146.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.976 0.417 . . . . 0.0 110.93 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.34 146.95 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.0 mm -108.08 -61.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.76 -31.69 17.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.93 54.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.5 m -80.49 115.5 20.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -105.1 151.18 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 32' ' ' THR . 2.7 mm -77.68 169.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.587 ' H ' HG22 ' A' ' 31' ' ' ILE . 22.2 m -103.11 -28.76 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -84.36 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -80.83 -20.73 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp 63.14 46.1 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.429 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 30.9 m170 -99.79 134.62 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.7 m -83.91 131.13 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -153.26 133.32 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 43' ' ' ILE . 8.7 m -46.48 133.26 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 44' ' ' VAL . 36.9 tptt -46.13 -46.3 17.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 52.0 m -66.41 -51.02 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -56.27 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 39' ' ' CYS . 8.8 tp -46.64 -43.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 40' ' ' LYS . 73.0 t -68.64 -35.52 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 41' ' ' SER . 9.0 ttt85 -69.85 -37.62 76.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -69.38 -27.93 65.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 43' ' ' ILE . 7.5 m-85 -71.27 -25.24 62.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -66.5 -40.61 89.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -90.86 -44.05 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 1.7 m -129.19 117.8 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -75.0 48.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 58' ' ' ILE . 52.1 mtt-85 -148.32 179.95 7.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.5 t -93.55 132.26 30.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.444 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.81 8.92 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 1.8 tptt -116.85 -64.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.13 -15.97 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 56.7 m-20 62.85 54.44 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 60' ' ' VAL . 35.6 pt -115.59 137.9 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.11 94.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' ILE . 58.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 9.6 t -97.74 170.32 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -108.13 -27.38 10.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.407 HD11 ' HG3' ' A' ' 54' ' ' PRO . 22.7 mt -92.27 -49.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.9 p -102.55 -10.81 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 48.35 54.34 10.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -146.85 153.91 25.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.3 m-85 -35.22 139.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.741 HD23 ' SG ' ' A' ' 39' ' ' CYS . 47.8 mt -83.17 138.64 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.32 -59.91 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 28.2 t0 -82.73 -34.49 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.06 53.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -79.28 134.03 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -119.02 145.28 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' GLU . 29.4 mt -106.86 80.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.578 ' O ' HD22 ' A' ' 35' ' ' LEU . 46.2 m -33.41 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ILE . 7.1 tt0 -46.08 -49.71 16.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -124.16 2.81 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 32' ' ' THR . 3.6 mm? 61.96 44.78 7.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.576 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 51.6 m170 -114.47 144.09 43.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -104.26 139.27 39.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' CYS . 70.7 m-85 -153.57 121.08 5.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.741 ' SG ' HD23 ' A' ' 25' ' ' LEU . 14.9 m -34.63 151.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' A' ' 44' ' ' VAL . 19.3 tptp -58.42 -57.23 13.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -58.49 -44.26 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.59 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' CYS . 11.0 tp -54.35 -42.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.556 HG21 ' NZ ' ' A' ' 40' ' ' LYS . 42.9 t -68.04 -33.45 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.73 -23.08 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 23.2 t60 -80.01 -33.13 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -73.4 -27.84 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -61.1 -46.16 91.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -95.35 -44.0 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.8 m -119.56 105.62 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -78.17 41.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HE ' HG22 ' A' ' 59' ' ' VAL . 96.8 mtt180 -144.23 146.34 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.5 t -68.78 127.68 93.09 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 54.3 Cg_endo -69.72 8.17 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.73 2.287 . . . . 0.0 112.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HD3' ' CD2' ' A' ' 36' ' ' HIS . 2.5 tttt -109.76 -70.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 58' ' ' ILE . 3.9 p -89.77 -10.99 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 2.5 m-20 60.1 53.7 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 38.9 pt -108.86 152.3 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG22 ' HE ' ' A' ' 52' ' ' ARG . 61.0 t -78.78 89.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HG ' ' HG ' ' A' ' 39' ' ' CYS . 12.0 t -122.2 167.66 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m -110.72 -24.28 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 42' ' ' CYS . 76.9 mt -88.42 -53.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 p -112.64 5.39 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 41.85 29.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.84 172.27 20.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.88 144.35 56.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.683 HD13 HG21 ' A' ' 37' ' ' THR . 6.0 mt -89.22 126.01 35.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.43 -53.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 12.2 t0 -91.4 -29.63 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.08 54.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.3 m -78.04 102.05 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 31' ' ' ILE . 90.3 m -92.04 154.25 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 32' ' ' THR . 63.2 mt -110.49 83.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.9 m -31.84 -40.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' ILE . 4.1 tp10 -45.25 -60.64 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.8 21.12 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 mp 41.38 37.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 41.3 m170 -101.38 137.18 40.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.683 HG21 HD13 ' A' ' 25' ' ' LEU . 23.5 m -97.35 142.54 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 54.8 m-85 -153.55 117.17 4.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.655 ' SG ' HD23 ' A' ' 25' ' ' LEU . 9.7 m -37.12 132.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -37.21 -61.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.9 p -56.39 -45.92 80.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.618 ' HB3' HD12 ' A' ' 20' ' ' ILE . 24.8 m -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.555 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 10.3 tp -51.61 -26.84 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 40' ' ' LYS . 79.8 t -85.42 -29.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -80.73 -34.54 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -69.76 -29.25 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 43' ' ' ILE . 6.4 m-85 -72.65 -26.52 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -65.7 -40.02 91.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -94.81 -43.07 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 t -131.22 117.41 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -79.55 40.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -137.29 179.65 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.5 t -97.1 126.93 40.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 53.8 Cg_endo -69.73 11.69 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.8 tptt -115.15 -70.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.504 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.5 p -93.51 -5.4 49.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 9.4 m120 61.82 51.77 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.504 HG23 ' SG ' ' A' ' 56' ' ' CYS . 22.6 pt -115.92 134.69 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 59' ' ' VAL . 3.6 p -68.84 108.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.889 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 14.2 t -112.28 166.6 11.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -103.3 -31.74 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 42' ' ' CYS . 56.6 mt -84.56 -68.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -88.64 -14.43 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 3.5 mppt? 54.25 42.16 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -132.82 151.31 19.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.4 m-85 -33.45 138.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.955 HD13 HG21 ' A' ' 37' ' ' THR . 9.6 mt -83.82 130.09 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.7 mp -89.29 -48.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.8 t0 -91.91 -42.57 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 73.72 47.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.7 m -80.46 108.8 14.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 t -101.28 137.07 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.9 mt -89.05 90.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.67 ' O ' HD22 ' A' ' 35' ' ' LEU . 85.7 m -30.73 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' ILE . 2.5 tp10 -47.09 -51.51 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.55 2.49 8.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD22 ' O ' ' A' ' 32' ' ' THR . 3.8 mm? 57.02 47.95 16.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 23.4 m170 -113.74 120.38 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.955 HG21 HD13 ' A' ' 25' ' ' LEU . 15.5 m -77.54 141.68 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 66.3 m-85 -153.13 120.3 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' SG ' HD23 ' A' ' 25' ' ' LEU . 10.2 m -38.6 131.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 44' ' ' VAL . 13.8 tptm -39.86 -48.78 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 t -68.76 -40.37 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.565 ' HB3' HD12 ' A' ' 20' ' ' ILE . 38.0 m -61.73 -59.24 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.5 tp -56.37 -52.04 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 40' ' ' LYS . 89.2 t -56.12 -42.2 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -75.03 -29.99 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 57.7 t60 -68.55 -36.08 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -69.73 -21.61 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -78.37 -42.39 30.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -83.68 -43.56 15.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -130.58 139.35 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.41 40.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.542 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 46.3 mtt180 -147.14 170.68 16.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 45.8 t -84.97 132.44 45.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 54.1 Cg_endo -69.73 11.47 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.411 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 12.8 mmmt -119.58 -66.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.524 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.9 p -97.31 -4.65 38.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 34.7 m120 55.43 52.39 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.524 HG23 ' SG ' ' A' ' 56' ' ' CYS . 46.4 pt -105.76 134.97 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.08 95.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -94.79 167.37 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -102.9 -28.93 11.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 54' ' ' PRO . 16.6 mt -90.63 -60.12 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.8 p -84.01 -21.02 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 60.53 47.64 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -152.66 159.34 28.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 13.2 m-85 -33.97 126.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 37' ' ' THR . 4.9 mt -69.77 102.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.76 -53.2 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 28' ' ' ALA . 17.0 m-20 -132.54 52.75 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB1' HG23 ' A' ' 37' ' ' THR . . . -30.84 138.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . 95.6 m -125.42 96.17 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -72.36 114.99 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 33' ' ' GLU . 2.8 mt -72.42 157.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' HG22 ' A' ' 32' ' ' THR . 19.1 m -100.06 -1.84 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.556 ' H ' HG22 ' A' ' 31' ' ' ILE . 18.3 tt0 -96.16 -70.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -92.28 -10.97 36.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 63.06 54.05 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -111.18 157.75 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.687 HG23 ' HB1' ' A' ' 28' ' ' ALA . 26.8 m -102.1 131.26 48.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 38.9 m-85 -153.05 129.49 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' O ' HG22 ' A' ' 43' ' ' ILE . 14.5 m -46.75 163.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 44' ' ' VAL . 19.5 tptm -67.63 -50.52 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.7 p -66.46 -47.23 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.2 m -55.24 -66.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 44' ' ' VAL . 10.9 tp -50.45 -47.97 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 40' ' ' LYS . 72.4 t -62.61 -33.49 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -78.99 -24.01 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 19.0 t60 -79.68 -35.37 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.97 -26.52 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.24 -47.22 85.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.81 -44.38 8.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' HIS . 7.8 m -127.01 108.02 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.27 -19.97 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 60.9 mtm180 -73.33 178.85 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.4 t -98.93 132.01 24.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.631 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.5 Cg_endo -69.81 11.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' CYS . 6.0 ttmt -118.88 -69.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 p -87.99 -12.14 45.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.1 m120 62.66 49.75 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.459 HD12 ' OE1' ' A' ' 33' ' ' GLU . 14.8 pt -116.12 132.79 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 59' ' ' VAL . 3.6 p -65.24 83.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -112.6 168.2 9.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -108.55 -24.13 11.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.43 -54.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -99.11 -13.73 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 55.78 42.02 29.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.35 155.19 23.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -39.37 140.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.907 HD23 ' SG ' ' A' ' 39' ' ' CYS . 7.9 mt -79.75 168.6 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.59 -58.56 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 9.1 t70 -91.47 -34.68 14.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.48 54.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 m -79.46 112.43 16.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.5 m -111.78 148.4 33.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.727 HD12 ' SG ' ' A' ' 34' ' ' CYS . 2.5 mt -86.41 158.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 32' ' ' THR . 41.1 m -98.0 -7.87 29.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE2' HD12 ' A' ' 58' ' ' ILE . 21.2 tt0 -89.62 -73.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.727 ' SG ' HD12 ' A' ' 31' ' ' ILE . 1.7 p -85.15 -15.68 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 62.91 54.49 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.609 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 25.5 m170 -111.73 133.07 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.5 m -83.64 133.71 34.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 60.3 m-85 -152.98 126.12 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.907 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.0 m -43.7 146.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -50.91 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -49.67 -43.35 47.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -58.11 -66.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 40' ' ' LYS . 10.2 tp -51.39 -31.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' LYS . 81.4 t -79.96 -31.99 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -77.19 -35.0 56.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -75.12 -31.82 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.9 m-85 -73.47 -22.05 60.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.36 -36.59 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -96.14 -42.32 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -126.76 115.79 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.09 45.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -148.42 167.1 26.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 14.0 t -79.9 127.71 76.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.743 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 7.56 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -113.49 -70.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 p -85.6 -24.51 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.9 t-20 72.87 54.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.492 HD12 ' OE2' ' A' ' 33' ' ' GLU . 33.6 pt -119.81 146.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.59 109.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 58' ' ' ILE . 95.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.804 0.335 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -97.36 168.06 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -103.19 -36.83 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.902 HD11 ' HG3' ' A' ' 54' ' ' PRO . 52.9 mt -81.82 -62.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -80.7 -23.17 39.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 60.25 45.73 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.42 169.61 26.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -43.74 131.84 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.62 136.24 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.29 -65.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 2.1 m-20 -93.05 -28.12 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 52.19 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.4 m -80.85 96.61 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.0 m -90.31 140.82 29.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.6 HD12 ' SG ' ' A' ' 34' ' ' CYS . 3.9 mt -82.76 152.29 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 32' ' ' THR . 64.3 m -96.71 -12.45 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.576 ' H ' HG22 ' A' ' 31' ' ' ILE . 4.8 tp10 -81.33 -71.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 31' ' ' ILE . 26.6 p -85.31 -10.33 56.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mm? 62.78 53.14 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 55' ' ' LYS . 48.6 m170 -117.62 145.83 44.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -91.36 131.32 36.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -153.18 129.27 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' HG22 ' A' ' 43' ' ' ILE . 23.0 m -48.84 179.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.604 ' NZ ' HG21 ' A' ' 44' ' ' VAL . 22.7 tptp -80.25 -63.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.499 ' HA ' HG12 ' A' ' 44' ' ' VAL . 48.4 t -60.2 -19.8 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.7 m -78.54 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.596 HG13 ' CE2' ' A' ' 47' ' ' PHE . 10.5 tp -69.32 -39.06 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG21 ' NZ ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -67.55 -28.88 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 41' ' ' SER . 27.5 ttt180 -88.45 -48.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 52' ' ' ARG . 41.7 t-80 -48.48 -26.86 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CE2' HG13 ' A' ' 43' ' ' ILE . 9.6 m-85 -74.88 -31.64 61.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -62.52 -36.34 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -96.74 -44.51 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.6 t -128.99 115.81 18.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -77.36 42.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 67.5 mtt180 -144.11 177.02 8.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 23.2 t -95.12 130.37 32.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.902 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.3 Cg_endo -69.75 7.99 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HB3' ' ND1' ' A' ' 36' ' ' HIS . 4.7 ttmt -116.19 -68.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.413 ' HG ' ' CB ' ' A' ' 34' ' ' CYS . 4.6 p -89.68 -19.85 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 47.6 t30 66.8 54.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.463 HG13 HG23 ' A' ' 60' ' ' VAL . 35.0 pt -116.08 137.85 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.41 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.463 HG23 HG13 ' A' ' 58' ' ' ILE . 97.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -114.37 168.35 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 t -103.81 -35.44 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' A' ' 42' ' ' CYS . 17.3 mt -82.56 -64.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -81.84 -22.33 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 61.57 41.36 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -136.79 156.29 23.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 14.8 m-85 -33.98 137.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 37' ' ' THR . 6.1 mt -81.96 131.49 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.35 -59.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 36.6 t0 -77.17 -46.68 22.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.98 48.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.9 m -79.71 102.46 9.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -96.49 141.71 29.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 47.2 mt -100.41 89.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' ILE . 98.6 m -31.79 -40.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HG2' HD12 ' A' ' 58' ' ' ILE . 5.5 tp10 -41.84 -56.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -118.36 15.01 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 44.25 44.85 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.657 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 34.4 m170 -110.05 129.74 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.664 HG21 HD13 ' A' ' 25' ' ' LEU . 20.3 m -84.84 141.4 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 61.1 m-85 -152.87 135.35 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.744 ' O ' HG22 ' A' ' 43' ' ' ILE . 10.6 m -61.5 140.21 58.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.0 tptm -47.05 -60.22 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -57.15 -43.66 82.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.447 ' HB3' HD12 ' A' ' 20' ' ' ILE . 90.0 m -61.6 -67.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 39' ' ' CYS . 7.2 tp -52.48 -44.95 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' LYS . 43.5 t -60.09 -45.22 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -72.78 -28.83 62.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -67.92 -37.56 81.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' SER . 5.6 m-85 -66.69 -26.42 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.44 -39.6 91.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -91.22 -44.47 9.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 6.3 t -136.92 119.54 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -76.55 44.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -137.4 177.47 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.8 t -91.19 129.93 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 4.33 2.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -109.91 -71.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.8 p -87.89 -25.21 23.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.1 m-20 73.36 51.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.6 HD12 ' HG2' ' A' ' 33' ' ' GLU . 47.8 pt -105.82 138.69 29.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.16 91.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 48.7 t -103.06 164.77 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -92.99 -31.67 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.24 -62.47 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -71.71 -30.99 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 60.0 mmtt 63.01 47.11 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -159.79 159.5 30.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' GLY . 30.8 m-85 -34.89 143.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -86.37 162.96 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.4 mp -114.99 -55.75 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 8.2 t0 -96.89 -35.96 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.71 54.63 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -80.04 99.6 7.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 m -92.82 132.1 37.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.637 HG22 ' N ' ' A' ' 32' ' ' THR . 27.3 mt -70.46 168.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.637 ' N ' HG22 ' A' ' 31' ' ' ILE . 32.9 m -108.6 -38.23 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' CG ' HD12 ' A' ' 58' ' ' ILE . 11.8 tt0 -59.24 -72.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.9 p -86.33 -14.41 43.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 12.5 mt 64.03 53.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' HB2' HD12 ' A' ' 31' ' ' ILE . 37.6 m170 -109.22 164.78 12.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.3 m -111.14 129.62 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -153.71 131.12 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m -48.92 122.97 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 11.9 tmtt? -39.03 -27.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' CYS . 4.0 m -79.36 -67.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.8 tp -56.02 -46.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.554 ' N ' HG23 ' A' ' 43' ' ' ILE . 30.0 t -72.19 -32.15 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 45' ' ' ARG . 4.9 tmm_? -69.08 -32.26 71.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -79.39 -30.87 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 60' ' ' VAL . 8.1 m-85 -74.77 -26.17 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.54 -37.63 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -107.5 -45.1 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 55.0 m -105.85 105.13 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -74.47 47.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -155.05 157.85 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.0 t -74.94 127.63 86.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -112.79 -67.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.506 ' SG ' HG23 ' A' ' 58' ' ' ILE . 5.8 p -96.4 -16.17 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 8.5 m120 69.27 51.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG13 HG23 ' A' ' 60' ' ' VAL . 38.2 pt -110.38 152.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.57 100.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG23 HG13 ' A' ' 58' ' ' ILE . 86.5 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 38.5 t -100.7 165.63 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 m -106.15 -28.98 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mt -80.58 -63.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -87.06 -19.18 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 29.1 mmmt 62.85 39.45 10.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.22 -132.19 3.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -111.58 135.34 52.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 0.0 110.912 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.633 HD23 ' SG ' ' A' ' 39' ' ' CYS . 3.1 mt -78.36 112.78 15.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.29 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 30.2 t70 -79.71 -36.59 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 72.4 54.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 38' ' ' PHE . 7.1 t -78.83 151.27 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.5 m -150.81 133.88 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 mt -100.14 88.01 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 31' ' ' ILE . 33.2 m -31.37 -43.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' THR . 8.4 tt0 -34.49 -50.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -117.02 -8.59 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 35' ' ' LEU . 10.2 mt 64.05 44.22 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.602 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 39.6 m170 -108.49 133.46 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 9.2 m -87.57 144.78 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 29' ' ' THR . 57.3 m-85 -152.54 163.21 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.633 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.4 m -91.04 158.24 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 44' ' ' VAL . 20.9 tptm -55.48 -63.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 m -57.0 -34.88 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.0 m -65.35 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -59.61 -27.07 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 40' ' ' LYS . 75.5 t -82.98 -33.48 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.57 -31.77 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.569 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 75.1 t60 -76.28 -37.28 57.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.4 m-85 -69.42 -18.08 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' A' ' 44' ' ' VAL . 3.3 m-85 -72.39 -44.62 62.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -95.58 -44.25 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -118.75 117.54 29.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -84.58 43.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 26.4 mtt180 -147.11 157.24 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 19.5 t -67.49 124.13 88.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.79 7.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -108.63 -70.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.9 -14.08 37.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 12.4 m120 71.85 50.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 pt -117.08 133.55 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.51 ' N ' ' HG2' ' A' ' 52' ' ' ARG . 7.2 p -75.25 115.87 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 t -113.72 167.45 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.05 -24.82 13.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 42' ' ' CYS . 28.9 mt -93.74 -64.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.34 -15.49 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt 56.33 42.8 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.66 161.22 25.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -45.83 145.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.834 HD23 ' SG ' ' A' ' 39' ' ' CYS . 4.8 mt -87.8 147.73 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.9 mp -105.55 -54.13 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 1.4 t70 -91.33 -33.57 15.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 67.97 54.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.2 m -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.0 m -110.41 135.74 50.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 32' ' ' THR . 20.4 mt -73.03 168.91 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 31' ' ' ILE . 89.0 m -108.69 -39.02 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' ' 58' ' ' ILE . 3.0 tp10 -54.91 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.8 p -87.71 -22.97 24.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tp 72.53 52.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 36.9 m170 -111.98 141.59 45.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.9 m -87.36 131.12 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -153.66 136.45 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.834 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.8 m -55.19 126.35 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -38.21 -50.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -62.63 -46.67 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' HB3' HD12 ' A' ' 20' ' ' ILE . 20.0 m -58.51 -62.76 1.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.1 tp -48.52 -39.21 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -75.37 -33.26 27.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 45' ' ' ARG . 6.4 ttp85 -76.12 -25.5 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -79.08 -28.05 43.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 43' ' ' ILE . 11.0 m-85 -70.31 -25.77 63.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -65.23 -39.78 93.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -92.51 -43.05 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 48.1 t -132.91 116.87 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.02 43.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -142.8 -178.35 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.4 t -95.41 132.38 27.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.66 5.4 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.394 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.4 ttmt -115.78 -70.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.2 p -87.18 -26.78 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 2.5 m120 75.07 54.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' ' 33' ' ' GLU . 32.2 pt -116.25 134.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.63 94.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 58' ' ' ILE . 69.4 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' CB ' ' HG ' ' A' ' 21' ' ' CYS . 10.2 t -108.53 168.28 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -102.79 -33.13 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.727 HD11 ' HG3' ' A' ' 54' ' ' PRO . 22.6 mt -87.39 -59.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HG ' ' CB ' ' A' ' 18' ' ' CYS . 19.4 p -80.57 -19.44 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 58.61 47.69 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -150.25 -152.58 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -62.75 127.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 mt -67.47 85.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 8.3 mt -70.78 126.72 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.1 t0 42.56 41.19 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -24.92 130.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.0 m -130.49 109.5 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 m -88.08 153.12 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.493 HD12 ' SG ' ' A' ' 34' ' ' CYS . 69.9 mt -95.08 145.27 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 32' ' ' THR . 5.8 m -86.46 27.83 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 31' ' ' ILE . 4.5 tm-20 -135.01 -68.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.493 ' SG ' HD12 ' A' ' 31' ' ' ILE . 1.7 p -89.11 -9.05 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt 58.85 47.12 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 31.3 m170 -104.14 125.68 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.585 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 86.0 m -81.6 126.74 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 37' ' ' THR . 28.8 m-85 -151.47 127.04 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 43' ' ' ILE . 8.3 m -34.45 142.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 27' ' ' ASP . 8.6 tmtt? -61.15 -34.67 75.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 m -76.77 -34.72 57.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.3 m -68.83 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 47' ' ' PHE . 7.6 tp -48.93 -45.42 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' N ' HG23 ' A' ' 43' ' ' ILE . 39.8 t -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -65.42 -38.92 91.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -71.72 -29.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.0 m-85 -71.0 -24.74 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -70.1 -40.06 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.26 -43.59 10.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.9 t -127.02 118.23 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -77.23 44.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -145.83 171.41 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 40.2 t -84.05 129.57 58.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.727 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.5 Cg_endo -69.77 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -116.23 -68.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 p -92.79 -14.55 27.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.8 m120 63.27 55.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.459 HG13 HG23 ' A' ' 60' ' ' VAL . 45.4 pt -111.84 154.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.33 98.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 58' ' ' ILE . 95.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.357 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -109.32 166.42 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.6 m -105.17 -30.95 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.2 mt -83.72 -64.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.04 -20.47 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 59.41 47.28 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.09 -155.95 9.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -91.44 125.36 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.53 HD23 ' SG ' ' A' ' 39' ' ' CYS . 13.9 mt -67.26 85.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.0 tp -60.87 -38.87 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.521 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -104.57 -36.32 7.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 55.03 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.8 m -85.33 124.04 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 36' ' ' HIS . 67.3 m -113.26 149.94 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.751 HG22 ' H ' ' A' ' 33' ' ' GLU . 17.0 mt -78.85 148.98 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 32' ' ' THR . 56.9 m -92.76 2.63 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.751 ' H ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -102.8 -72.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.704 ' SG ' HD12 ' A' ' 31' ' ' ILE . 17.6 p -84.37 -12.29 54.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 31' ' ' ILE . 3.5 mm? 62.79 51.8 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.504 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 46.1 m170 -110.97 140.63 45.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.4 128.2 34.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 31.5 m-85 -152.97 117.56 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.53 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.6 m -37.81 131.96 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 11.1 tmtt? -43.47 -52.1 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.0 m -61.26 -45.15 95.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.11 -66.34 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -46.67 -41.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 t -71.46 -35.05 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.455 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 24.2 ttt180 -75.03 -27.87 60.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -81.28 -26.49 35.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 60' ' ' VAL . 4.5 m-85 -75.24 -27.05 59.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.51 -36.68 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 16.4 m-85 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -125.04 112.18 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -75.68 47.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 28.7 mtt85 -147.75 177.65 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 17.5 t -95.24 125.79 48.78 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 10.45 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HD3' ' CG ' ' A' ' 36' ' ' HIS . 1.8 tttt -114.56 -70.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.406 ' SG ' HG23 ' A' ' 58' ' ' ILE . 4.9 p -90.72 -7.12 53.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.9 m-20 62.69 52.92 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG23 ' SG ' ' A' ' 56' ' ' CYS . 26.4 pt -117.73 137.86 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.5 p -69.47 110.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 69.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.815 0.341 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 t -107.4 166.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -107.82 -26.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 38' ' ' PHE . 4.4 mp -83.25 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -92.54 -19.49 21.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 61.52 48.42 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -150.16 152.75 24.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m-85 -34.52 131.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.939 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.677 HD23 ' SG ' ' A' ' 39' ' ' CYS . 10.9 mt -65.57 158.4 27.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.1 mp -111.68 -69.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.5 m-20 -83.42 -33.83 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 73.5 51.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.6 m -80.81 98.41 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.453 HG23 ' C ' ' A' ' 36' ' ' HIS . 87.2 m -99.53 137.48 37.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.649 HG22 ' H ' ' A' ' 33' ' ' GLU . 7.4 mt -76.66 158.32 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 31' ' ' ILE . 32.7 m -101.15 -19.62 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.649 ' H ' HG22 ' A' ' 31' ' ' ILE . 14.4 tt0 -72.26 -71.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.9 p -86.98 -10.35 53.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 5.9 mp 62.36 54.41 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.453 ' C ' HG23 ' A' ' 30' ' ' THR . 36.1 m170 -117.85 135.74 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.3 m -85.94 138.02 32.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 40.6 m-85 -153.01 151.0 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.677 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.2 m -71.08 128.9 37.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -40.21 -48.9 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -65.07 -49.84 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.7 m -57.37 -65.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.9 tp -42.0 -45.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' N ' HG23 ' A' ' 43' ' ' ILE . 42.1 t -71.48 -34.8 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.5 ttp85 -72.21 -27.08 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 57.9 t-80 -81.53 -30.32 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.499 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.6 m-85 -70.59 -24.96 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.31 -44.76 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -92.37 -44.27 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 5.8 t -124.22 111.95 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -76.02 44.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' NH1' ' CG2' ' A' ' 59' ' ' VAL . 42.9 mtt-85 -145.72 172.36 13.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 21.5 t -84.59 130.19 54.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.541 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 53.5 Cg_endo -69.78 8.15 0.84 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.736 2.29 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.1 tptt -115.8 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.405 ' SG ' HG12 ' A' ' 58' ' ' ILE . 3.3 p -87.75 -17.71 31.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 11.9 m120 64.73 54.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG12 ' SG ' ' A' ' 56' ' ' CYS . 46.0 pt -113.71 154.79 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' CG2' ' NH1' ' A' ' 52' ' ' ARG . 60.6 t -77.68 94.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 p -92.17 -61.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.83 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p 44.26 42.1 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.06 123.44 6.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -148.46 129.67 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.7 p -171.1 166.18 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.69 68.79 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.771 ' C ' HD12 ' A' ' 9' ' ' LEU . 91.2 m-20 -139.97 122.21 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.771 HD12 ' C ' ' A' ' 8' ' ' ASN . 7.5 mp -135.08 131.09 36.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 m -147.16 173.53 12.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -123.36 101.74 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.8 mt -151.47 172.42 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.1 p -45.68 121.29 5.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 3.36 2.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.295 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -76.13 -29.32 57.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' HD11 ' A' ' 25' ' ' LEU . 82.0 mt -38.87 -35.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.57 159.3 1.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.5 132.58 51.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 1.7 m -63.46 -19.97 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 42' ' ' CYS . 66.3 mt -99.43 -65.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -62.77 -27.43 69.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp 62.2 25.1 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.74 -126.88 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -90.88 163.72 14.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 110.95 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.605 HD11 ' O ' ' A' ' 16' ' ' ILE . 4.8 mt -104.64 166.92 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.5 mp -120.35 -61.99 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.2 t0 -85.67 -42.14 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.74 47.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.6 m -79.78 114.35 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -95.22 137.37 34.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 33' ' ' GLU . 23.7 mt -76.28 145.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.71 ' O ' HG22 ' A' ' 32' ' ' THR . 87.0 m -93.33 11.12 29.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.741 ' H ' HG22 ' A' ' 31' ' ' ILE . 35.1 tt0 -109.3 -68.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 -2.47 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.1 mm? 57.31 53.76 7.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.59 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 27.8 m170 -112.22 148.41 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.7 m -90.16 128.49 36.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 38.4 m-85 -152.58 133.43 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.24 136.45 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 tptm -40.54 -55.45 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.3 m -61.66 -38.72 88.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.576 ' HB3' HD12 ' A' ' 20' ' ' ILE . 3.5 m -62.4 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -57.46 -39.69 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' LYS . 54.8 t -66.79 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.04 -42.18 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.611 ' CD2' ' HB3' ' A' ' 54' ' ' PRO . 21.3 t-80 -65.64 -28.92 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.4 m-85 -76.37 -15.49 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.93 -37.89 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -95.94 -43.63 7.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.978 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -128.05 126.49 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.84 33.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.522 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 63.4 mtm180 -127.41 175.11 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 43.5 t -94.73 126.61 46.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.611 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.77 10.0 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.59 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -112.86 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.578 ' SG ' HG23 ' A' ' 58' ' ' ILE . 5.5 p -93.83 -16.39 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER 73.96 46.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.578 HG23 ' SG ' ' A' ' 56' ' ' CYS . 21.9 pt -110.28 134.66 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 59' ' ' VAL . 3.0 p -72.52 87.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t -69.09 105.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -97.36 56.82 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -105.43 -61.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 p -44.67 -62.11 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -167.02 133.21 1.81 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 0.0 110.916 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.81 12.76 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 7.9 tp -110.56 140.0 45.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.4 t -70.78 -48.81 52.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.6 151.58 23.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -169.2 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.6 p -94.72 40.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.7 t -86.61 113.12 22.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.509 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -168.89 159.64 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.935 0.398 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -174.54 166.75 3.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.18 170.28 17.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -153.93 122.98 6.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -95.84 -57.34 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.62 49.74 60.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.46 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -94.77 87.56 5.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -133.14 99.4 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.3 p -120.48 41.34 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -98.05 151.03 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.2 mp -116.33 53.56 0.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.8 p -56.15 152.56 21.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.556 0.693 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.55 14.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' ILE . 37.1 m-85 -83.11 -35.36 25.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.58 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.4 mp -36.36 -36.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -51.42 163.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.3 t -97.0 170.23 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -110.2 -26.11 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.955 HD11 ' HG3' ' A' ' 54' ' ' PRO . 86.1 mt -90.62 -49.62 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 12.5 p -108.04 4.23 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 37.8 36.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.91 164.85 20.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -46.04 129.41 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 21.2 mt -65.51 86.83 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.8 tp -58.18 -45.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 26' ' ' ILE . 1.5 m-20 -132.0 47.89 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . . . -31.32 137.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' PHE . 27.8 m -131.65 95.95 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.0 m -61.56 148.44 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' HIS . 65.1 mt -125.85 83.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 31' ' ' ILE . 96.8 m -31.01 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HG2' HD12 ' A' ' 58' ' ' ILE . 5.8 tp10 -47.18 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.88 26.76 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 40.32 33.27 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 46.7 m170 -104.34 142.43 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -115.07 145.26 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 20.0 m-85 -152.08 147.62 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.568 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.5 m -54.35 145.15 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -52.6 -58.21 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -56.72 -45.63 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HB3' HD12 ' A' ' 20' ' ' ILE . 44.0 m -58.75 -66.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 44' ' ' VAL . 11.3 tp -53.12 -50.92 43.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.633 ' N ' HG23 ' A' ' 43' ' ' ILE . 22.5 t -55.65 -41.83 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -70.51 -34.17 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 52' ' ' ARG . 55.2 t-80 -67.9 -36.98 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -71.13 -28.45 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.8 -36.74 77.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -102.65 -45.45 5.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' HIS . 1.7 m -130.53 118.62 21.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 43.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 36.9 mtp180 -129.62 173.43 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -95.73 130.16 32.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.955 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.78 8.39 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -113.84 -67.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 58' ' ' ILE . 7.1 p -93.44 -21.28 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 16.8 m-80 71.39 54.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.6 HD12 ' HG2' ' A' ' 33' ' ' GLU . 43.3 pt -111.69 137.85 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.5 t -69.91 79.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 58' ' ' ILE . 61.0 t -72.72 89.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -96.77 84.62 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.75 165.54 13.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.0 p -82.78 95.48 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.71 126.41 87.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 84.24 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.1 tp -56.64 99.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -115.53 89.36 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' HA3' ' HD2' ' A' ' 69' ' ' PRO . . . 177.83 -142.94 5.85 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.485 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.421 ' HD2' ' HA3' ' A' ' 68' ' ' GLY . 53.6 Cg_endo -69.79 153.66 68.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.6 m -107.42 -50.9 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.1 m -84.97 42.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.52 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -101.26 -53.28 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 m -138.21 127.99 25.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.21 153.81 8.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -173.1 176.77 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -137.14 153.0 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.78 64.0 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -106.26 132.76 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.43 -51.26 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 t -115.16 94.19 4.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -113.34 42.38 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 mt 57.0 42.74 25.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -101.32 142.11 23.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 173.27 11.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.268 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 22.1 t80 -88.73 0.81 56.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.471 ' O ' HG22 ' A' ' 16' ' ' ILE . 27.9 mt -66.5 71.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -125.68 -176.77 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.66 167.29 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -109.95 -23.31 11.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.496 HD11 ' HG3' ' A' ' 54' ' ' PRO . 5.3 mp -89.6 -53.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 p -101.94 -14.69 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.68 38.39 25.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.47 -172.36 13.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -68.56 135.89 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.961 0.41 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.854 HD23 ' SG ' ' A' ' 39' ' ' CYS . 8.8 mt -82.11 130.09 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.23 -48.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 10.0 t70 -88.71 -42.4 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.63 54.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 38' ' ' PHE . 7.4 m -80.83 110.03 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.2 m -99.78 149.12 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' GLU . 12.0 mt -105.39 92.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.704 ' O ' HD22 ' A' ' 35' ' ' LEU . 27.2 m -32.82 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.7 tt0 -49.96 -66.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -108.25 19.12 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 32' ' ' THR . 4.3 mm? 38.27 47.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 39.1 m170 -110.73 130.01 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.0 m -83.33 135.81 34.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 50.5 m-85 -152.59 130.08 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.854 ' SG ' HD23 ' A' ' 25' ' ' LEU . 9.1 m -47.35 121.25 3.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -41.73 -30.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 p -82.03 -33.72 29.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' CYS . 50.2 m -79.22 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.642 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -38.73 -32.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.11 -41.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.9 mtt-85 -65.76 -43.3 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -57.98 -25.7 61.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CE2' HD12 ' A' ' 43' ' ' ILE . 5.5 m-85 -75.29 -27.23 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -67.81 -31.75 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -101.47 -43.45 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -127.23 115.83 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.33 49.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -151.27 -176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -98.41 135.67 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.7 Cg_endo -69.8 9.39 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -121.96 -65.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.58 ' SG ' HG23 ' A' ' 58' ' ' ILE . 11.5 p -98.73 3.33 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.8 p-10 44.41 53.25 7.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.58 HG23 ' SG ' ' A' ' 56' ' ' CYS . 34.2 pt -104.92 133.15 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.99 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t -76.6 78.68 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -149.92 140.63 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -120.94 -56.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.8 m -124.29 -56.81 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -155.04 150.74 21.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.581 0.705 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.77 119.05 6.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.71 2.274 . . . . 0.0 112.366 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' PRO . 4.3 mm? -34.83 144.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.1 p -142.51 136.59 29.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.18 143.95 4.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -179.02 2.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.1 p -118.61 125.58 50.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.7 p -144.48 178.16 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.49 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -111.92 176.11 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -122.13 -60.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.66 -52.32 0.83 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.518 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p 38.4 43.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 t -66.05 150.52 48.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.96 160.92 33.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.08 108.63 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -141.91 178.49 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -87.89 145.26 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -121.44 42.15 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.45 92.18 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.7 p -121.09 133.48 24.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -179.05 2.64 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.742 2.295 . . . . 0.0 112.35 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -87.33 40.2 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm -95.1 -28.81 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.32 168.49 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.7 t -110.22 165.46 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -97.52 -26.49 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.731 HD11 ' HG3' ' A' ' 54' ' ' PRO . 69.5 mt -92.22 -56.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -80.94 -21.09 40.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.85 31.83 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.33 -154.55 6.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.83 146.9 54.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -91.9 124.66 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -86.75 -65.14 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 28' ' ' ALA . 66.8 m-20 -114.97 52.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 37' ' ' THR . . . -27.29 135.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' PHE . 15.9 m -127.52 96.59 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.6 m -66.72 135.39 53.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' GLU . 44.0 mt -116.49 86.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.557 ' O ' HD22 ' A' ' 35' ' ' LEU . 95.4 m -32.09 -35.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.748 ' HG3' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -49.43 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -103.89 11.11 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 32' ' ' THR . 2.9 mm? 53.17 25.06 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 43.4 m170 -90.16 165.56 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.792 ' CG2' ' HB1' ' A' ' 28' ' ' ALA . 22.2 m -130.62 139.19 50.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 15.9 m-85 -152.59 146.94 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 m -54.51 142.02 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HE2' HG21 ' A' ' 44' ' ' VAL . 20.3 tptm -64.55 -11.57 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.1 p -94.89 -42.24 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' HB2' HG21 ' A' ' 20' ' ' ILE . 21.8 p -80.22 -47.15 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.575 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -57.93 -39.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 48.1 t -76.32 -36.0 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -76.59 -22.86 53.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.486 ' CE1' ' O ' ' A' ' 52' ' ' ARG . 54.5 t-80 -71.27 -31.45 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' A' ' 43' ' ' ILE . 20.5 m-85 -72.29 -24.1 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.42 -44.22 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -98.72 -40.45 8.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -128.13 104.19 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.65 50.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 27.1 mtt85 -156.15 137.58 13.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 49.0 t -53.31 127.71 48.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.731 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.0 Cg_endo -69.73 6.56 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.523 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.0 ttmt -108.52 -69.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.2 p -89.94 -21.96 22.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.5 t-20 74.97 51.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.764 HG13 HG23 ' A' ' 60' ' ' VAL . 35.3 pt -109.07 143.58 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.94 89.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 58' ' ' ILE . 96.5 t -96.69 129.99 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' GLN . 10.6 t60 -100.39 -66.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' HIS . 11.6 tt0 -35.25 106.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -80.96 -7.5 59.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -164.55 150.22 8.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -91.2 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.643 2.229 . . . . 0.0 112.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 tp -144.42 130.46 19.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.0 p -107.59 129.92 54.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.49 141.57 47.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.48 14.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.734 2.29 . . . . 0.0 112.319 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -106.99 138.33 43.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.5 p -56.71 163.87 1.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.508 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -171.65 137.37 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -161.11 151.91 18.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.37 109.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -154.88 156.68 36.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 p -174.98 131.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.76 64.73 0.31 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -170.24 117.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 pp -166.37 151.88 8.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 m -80.39 137.6 36.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -126.5 81.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -147.67 164.91 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -72.13 141.37 83.74 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.569 0.699 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 177.28 5.72 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -121.65 -73.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.467 HG23 HD12 ' A' ' 25' ' ' LEU . 77.3 mt -134.73 99.65 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -154.6 -179.92 8.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -113.7 167.52 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -108.4 -28.62 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.801 HD11 ' HG3' ' A' ' 54' ' ' PRO . 12.2 mt -87.42 -55.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.1 p -92.75 -20.94 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm 61.33 40.7 13.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.71 160.08 24.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.12 130.99 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' SG ' ' A' ' 39' ' ' CYS . 4.5 mt -74.49 114.48 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.1 mm -75.56 -67.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.7 t70 -73.83 -42.14 61.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.55 50.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -81.66 102.22 10.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -98.18 121.54 40.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 32' ' ' THR . 37.2 mt -66.97 163.03 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.57 ' N ' HG22 ' A' ' 31' ' ' ILE . 94.5 m -103.17 -35.54 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' ILE . 10.5 tt0 -51.75 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 35' ' ' LEU . 1.1 p -112.24 29.06 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 34' ' ' CYS . 15.3 mt 28.02 50.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 34' ' ' CYS . 38.5 m170 -108.49 140.58 41.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -85.13 136.74 33.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 61.7 m-85 -152.68 141.15 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.727 ' O ' HG22 ' A' ' 43' ' ' ILE . 10.0 m -69.79 155.72 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HE3' HG21 ' A' ' 44' ' ' VAL . 32.0 tptt -66.99 -35.67 80.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -83.56 -9.04 59.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 m -99.29 -52.88 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 39' ' ' CYS . 9.3 tp -66.01 -41.24 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.479 HG21 ' HE3' ' A' ' 40' ' ' LYS . 83.9 t -67.48 -38.78 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.51 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -79.14 -34.97 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.472 ' CE1' ' HD3' ' A' ' 54' ' ' PRO . 56.2 t-80 -64.45 -32.43 74.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.646 ' CZ ' HD11 ' A' ' 43' ' ' ILE . 8.0 m-85 -72.88 -25.43 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.41 -35.24 78.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 6.2 m-85 -96.62 -43.24 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.1 t -134.94 120.44 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -80.4 42.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -139.75 164.86 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.3 t -85.78 127.38 62.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.708 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.801 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.3 Cg_endo -69.74 8.33 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -110.42 -66.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.575 ' SG ' HG23 ' A' ' 58' ' ' ILE . 4.5 p -94.99 -14.1 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 t-20 70.66 43.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.575 HG23 ' SG ' ' A' ' 56' ' ' CYS . 23.8 pt -105.9 141.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.89 98.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG23 HG13 ' A' ' 58' ' ' ILE . 59.6 t -99.61 125.09 53.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -93.85 145.86 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -108.54 146.64 32.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.9 p -128.66 114.99 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.11 121.32 70.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.636 0.731 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.439 ' C ' HD22 ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.8 -4.15 13.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD22 ' C ' ' A' ' 65' ' ' PRO . 4.4 mm? -115.47 -54.94 2.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 t 69.02 41.39 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.22 79.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.41 69.34 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.8 m -130.93 42.1 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -42.86 155.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.513 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -163.07 127.86 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -149.48 162.38 40.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.89 70.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -132.9 136.38 46.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -159.02 166.01 32.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.65 104.7 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -149.28 115.98 5.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.4 mt -139.62 132.44 29.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -174.74 126.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -32.85 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.3 tp -175.19 143.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 p -139.62 134.27 16.13 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.624 0.726 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -171.51 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.74 62.31 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.8 mt -72.75 -42.26 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -58.4 170.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t -103.41 169.13 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -97.37 -40.1 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.81 HD11 ' HG3' ' A' ' 54' ' ' PRO . 21.3 mt -84.77 -69.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.41 -18.7 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt 55.37 40.71 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.16 -149.77 6.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -85.83 138.0 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.933 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 39' ' ' CYS . 12.5 mt -76.75 145.68 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.32 -64.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 21.5 t0 -84.23 -35.64 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 69.47 55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 38' ' ' PHE . 1.3 t -78.56 142.39 37.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 36' ' ' HIS . 89.2 m -127.71 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 32' ' ' THR . 23.3 mt -111.76 83.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.528 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.7 m -27.18 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.7 tp10 -33.37 -52.35 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.19 -8.74 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 35' ' ' LEU . 9.8 mt 64.35 50.15 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.866 ' O ' HG23 ' A' ' 30' ' ' THR . 20.7 m170 -109.16 178.14 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -126.12 138.97 53.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m-85 -153.34 164.15 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 25' ' ' LEU . 10.2 m -89.8 162.1 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.747 ' O ' HG23 ' A' ' 44' ' ' VAL . 56.6 tptt -59.93 -57.55 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -62.49 -40.13 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.89 -53.94 48.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.0 tp -69.35 -31.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 40' ' ' LYS . 41.3 t -71.99 -37.92 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -83.34 -42.44 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.561 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 65.6 t60 -52.96 -32.93 48.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -70.28 -24.33 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.93 -36.67 59.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -88.3 -43.95 11.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 t -137.98 143.09 40.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -85.0 -24.32 28.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.528 ' NH1' HG23 ' A' ' 59' ' ' VAL . 66.8 mtt-85 -71.49 177.26 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 36.2 t -88.73 136.89 30.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.684 0.754 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.81 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.3 Cg_endo -69.76 10.44 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -122.66 -70.51 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.481 ' SG ' HG23 ' A' ' 58' ' ' ILE . 7.9 p -89.39 -13.58 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 m120 62.68 53.26 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.481 HG23 ' SG ' ' A' ' 56' ' ' CYS . 32.6 pt -107.37 132.93 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.528 HG23 ' NH1' ' A' ' 52' ' ' ARG . 69.0 t -56.96 91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 58' ' ' ILE . 86.6 t -84.63 101.07 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -66.18 136.61 56.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -81.79 131.79 35.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.8 p -106.89 -59.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.06 126.4 27.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.12 54.57 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 67' ' ' SER . 2.9 tt -45.04 122.69 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.481 ' N ' HD23 ' A' ' 66' ' ' LEU . 88.9 p -122.59 -49.25 2.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.7 133.22 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.78 33.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.9 t -161.61 135.38 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 t -126.61 -52.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -174.52 166.25 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -134.24 156.37 48.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.51 -155.58 26.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m 63.17 41.85 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.895 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -60.56 150.89 30.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.14 106.48 2.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 10.3 t-20 -72.43 -64.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER 34.58 53.99 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.428 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 1.5 t -77.19 -66.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' OE1' ' C ' ' A' ' 10' ' ' SER . 34.4 mp0 -159.15 105.04 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 13' ' ' THR . 16.2 mt -129.93 30.45 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -160.71 159.71 25.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 111.116 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 80.12 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -67.17 179.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.5 mt -104.52 -36.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.184 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt -42.01 162.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -76.71 166.01 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -110.05 -17.73 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.444 HD11 ' HG3' ' A' ' 54' ' ' PRO . 66.9 mt -97.97 -41.19 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.5 p -112.18 2.87 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? 41.48 34.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.96 151.73 17.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -42.84 146.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.976 0.417 . . . . 0.0 110.93 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.34 146.95 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.0 mm -108.08 -61.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.76 -31.69 17.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.93 54.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.5 m -80.49 115.5 20.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -105.1 151.18 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 32' ' ' THR . 2.7 mm -77.68 169.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.587 ' H ' HG22 ' A' ' 31' ' ' ILE . 22.2 m -103.11 -28.76 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -84.36 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -80.83 -20.73 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp 63.14 46.1 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 30.9 m170 -99.79 134.62 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.7 m -83.91 131.13 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -153.26 133.32 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 43' ' ' ILE . 8.7 m -46.48 133.26 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 44' ' ' VAL . 36.9 tptt -46.13 -46.3 17.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 52.0 m -66.41 -51.02 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -56.27 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 39' ' ' CYS . 8.8 tp -46.64 -43.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 40' ' ' LYS . 73.0 t -68.64 -35.52 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 41' ' ' SER . 9.0 ttt85 -69.85 -37.62 76.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -69.38 -27.93 65.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 43' ' ' ILE . 7.5 m-85 -71.27 -25.24 62.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -66.5 -40.61 89.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -90.86 -44.05 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 1.7 m -129.19 117.8 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -75.0 48.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 58' ' ' ILE . 52.1 mtt-85 -148.32 179.95 7.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.5 t -93.55 132.26 30.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.81 8.92 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 1.8 tptt -116.85 -64.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.13 -15.97 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 56.7 m-20 62.85 54.44 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 60' ' ' VAL . 35.6 pt -115.59 137.9 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.11 94.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' ILE . 58.1 t -96.3 141.76 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -44.24 136.06 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -105.11 73.85 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.6 m -137.14 140.55 41.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.06 152.61 16.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.73 135.81 31.48 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PRO . 7.2 tp -37.79 151.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.5 t -125.37 -58.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.25 135.23 2.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -177.02 1.67 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 t 61.94 43.16 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 p -38.85 -59.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.492 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -172.09 155.3 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -124.08 -23.27 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.41 99.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -161.16 121.06 2.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -88.01 -58.23 2.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.47 89.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -132.42 80.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 tp -174.79 112.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.3 p -123.41 84.92 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' C ' HD22 ' A' ' 12' ' ' LEU . 59.2 mt-10 -105.71 101.32 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 11' ' ' GLU . 4.3 mm? -126.0 40.69 3.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.8 p -144.65 122.83 6.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.55 43.01 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -56.21 132.62 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.5 mt -126.33 -32.6 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.17 167.24 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 9.6 t -97.74 170.32 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -108.13 -27.38 10.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.407 HD11 ' HG3' ' A' ' 54' ' ' PRO . 22.7 mt -92.27 -49.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.9 p -102.55 -10.81 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 48.35 54.34 10.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -146.85 153.91 25.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.3 m-85 -35.22 139.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.741 HD23 ' SG ' ' A' ' 39' ' ' CYS . 47.8 mt -83.17 138.64 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.32 -59.91 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 28.2 t0 -82.73 -34.49 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.06 53.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -79.28 134.03 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -119.02 145.28 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' GLU . 29.4 mt -106.86 80.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.578 ' O ' HD22 ' A' ' 35' ' ' LEU . 46.2 m -33.41 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ILE . 7.1 tt0 -46.08 -49.71 16.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -124.16 2.81 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 32' ' ' THR . 3.6 mm? 61.96 44.78 7.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.576 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 51.6 m170 -114.47 144.09 43.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -104.26 139.27 39.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' CYS . 70.7 m-85 -153.57 121.08 5.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.741 ' SG ' HD23 ' A' ' 25' ' ' LEU . 14.9 m -34.63 151.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' A' ' 44' ' ' VAL . 19.3 tptp -58.42 -57.23 13.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -58.49 -44.26 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.59 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' CYS . 11.0 tp -54.35 -42.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.556 HG21 ' NZ ' ' A' ' 40' ' ' LYS . 42.9 t -68.04 -33.45 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.73 -23.08 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 23.2 t60 -80.01 -33.13 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -73.4 -27.84 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -61.1 -46.16 91.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -95.35 -44.0 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.8 m -119.56 105.62 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -78.17 41.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HE ' HG22 ' A' ' 59' ' ' VAL . 96.8 mtt180 -144.23 146.34 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.5 t -68.78 127.68 93.09 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 54.3 Cg_endo -69.72 8.17 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.73 2.287 . . . . 0.0 112.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HD3' ' CD2' ' A' ' 36' ' ' HIS . 2.5 tttt -109.76 -70.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 58' ' ' ILE . 3.9 p -89.77 -10.99 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 2.5 m-20 60.1 53.7 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 38.9 pt -108.86 152.3 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG22 ' HE ' ' A' ' 52' ' ' ARG . 61.0 t -78.78 89.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.88 -42.83 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -102.9 128.75 49.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -39.88 -59.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.9 m -39.16 134.72 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -81.22 163.06 56.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 4.67 2.05 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.4 mt -148.17 141.59 25.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 t -125.37 83.79 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.25 -169.19 15.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -28.74 24.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.5 m -86.55 -48.44 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -75.99 -61.48 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.512 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -170.14 145.37 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.2 166.52 27.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.16 145.97 8.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -170.08 149.34 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.08 170.8 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.87 -170.01 20.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -145.39 153.68 41.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.41 158.56 16.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -88.19 153.87 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -110.02 -41.59 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -152.18 105.02 3.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -146.1 153.65 49.42 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.599 0.714 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -163.83 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -84.75 43.97 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' HG22 ' A' ' 16' ' ' ILE . 86.5 mt -111.95 67.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -130.62 -175.64 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -122.2 167.66 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m -110.72 -24.28 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 42' ' ' CYS . 76.9 mt -88.42 -53.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 p -112.64 5.39 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 41.85 29.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.84 172.27 20.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.88 144.35 56.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.683 HD13 HG21 ' A' ' 37' ' ' THR . 6.0 mt -89.22 126.01 35.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.43 -53.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 12.2 t0 -91.4 -29.63 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.08 54.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.3 m -78.04 102.05 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 31' ' ' ILE . 90.3 m -92.04 154.25 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 32' ' ' THR . 63.2 mt -110.49 83.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.9 m -31.84 -40.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' ILE . 4.1 tp10 -45.25 -60.64 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.8 21.12 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 mp 41.38 37.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 41.3 m170 -101.38 137.18 40.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.683 HG21 HD13 ' A' ' 25' ' ' LEU . 23.5 m -97.35 142.54 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 54.8 m-85 -153.55 117.17 4.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.655 ' SG ' HD23 ' A' ' 25' ' ' LEU . 9.7 m -37.12 132.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -37.21 -61.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.9 p -56.39 -45.92 80.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.618 ' HB3' HD12 ' A' ' 20' ' ' ILE . 24.8 m -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.555 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 10.3 tp -51.61 -26.84 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 40' ' ' LYS . 79.8 t -85.42 -29.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -80.73 -34.54 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -69.76 -29.25 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 43' ' ' ILE . 6.4 m-85 -72.65 -26.52 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -65.7 -40.02 91.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -94.81 -43.07 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 t -131.22 117.41 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -79.55 40.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -137.29 179.65 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.5 t -97.1 126.93 40.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 53.8 Cg_endo -69.73 11.69 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.8 tptt -115.15 -70.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.504 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.5 p -93.51 -5.4 49.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 9.4 m120 61.82 51.77 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.504 HG23 ' SG ' ' A' ' 56' ' ' CYS . 22.6 pt -115.92 134.69 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.624 HG22 ' CD2' ' A' ' 61' ' ' HIS . 3.6 p -68.84 108.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.8 t -83.29 124.43 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.624 ' CD2' HG22 ' A' ' 59' ' ' VAL . 47.8 m170 -111.59 82.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -171.32 144.55 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 45.0 p -113.45 83.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -48.52 141.17 9.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 171.86 13.73 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.0 mt -96.01 41.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -140.09 174.02 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.2 -90.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -177.64 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.24 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 t -97.59 151.91 19.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.7 p -108.62 165.79 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.497 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 53.28 41.78 32.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -92.62 -46.17 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.39 140.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -156.35 171.13 20.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -172.48 174.57 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.23 131.54 3.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -169.98 112.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pp -153.76 161.53 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.0 m -146.66 165.72 28.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -106.26 -31.39 8.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -164.89 140.9 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.1 p -144.3 130.86 10.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.563 0.697 . . . . 0.0 111.197 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -179.87 3.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.398 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 45.2 p90 -89.37 40.1 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 mt -98.42 -39.46 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.53 178.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 14.2 t -112.28 166.6 11.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -103.3 -31.74 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 42' ' ' CYS . 56.6 mt -84.56 -68.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -88.64 -14.43 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 3.5 mppt? 54.25 42.16 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -132.82 151.31 19.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.4 m-85 -33.45 138.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.955 HD13 HG21 ' A' ' 37' ' ' THR . 9.6 mt -83.82 130.09 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.464 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.7 mp -89.29 -48.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.8 t0 -91.91 -42.57 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 73.72 47.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.7 m -80.46 108.8 14.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 t -101.28 137.07 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.9 mt -89.05 90.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.67 ' O ' HD22 ' A' ' 35' ' ' LEU . 85.7 m -30.73 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' ILE . 2.5 tp10 -47.09 -51.51 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.55 2.49 8.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD22 ' O ' ' A' ' 32' ' ' THR . 3.8 mm? 57.02 47.95 16.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 23.4 m170 -113.74 120.38 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.955 HG21 HD13 ' A' ' 25' ' ' LEU . 15.5 m -77.54 141.68 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 66.3 m-85 -153.13 120.3 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' SG ' HD23 ' A' ' 25' ' ' LEU . 10.2 m -38.6 131.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 44' ' ' VAL . 13.8 tptm -39.86 -48.78 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 t -68.76 -40.37 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.565 ' HB3' HD12 ' A' ' 20' ' ' ILE . 38.0 m -61.73 -59.24 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.5 tp -56.37 -52.04 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 40' ' ' LYS . 89.2 t -56.12 -42.2 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -75.03 -29.99 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 57.7 t60 -68.55 -36.08 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -69.73 -21.61 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -78.37 -42.39 30.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -83.68 -43.56 15.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -130.58 139.35 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.41 40.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.542 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 46.3 mtt180 -147.14 170.68 16.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 45.8 t -84.97 132.44 45.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 54.1 Cg_endo -69.73 11.47 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.411 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 12.8 mmmt -119.58 -66.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.524 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.9 p -97.31 -4.65 38.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 34.7 m120 55.43 52.39 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.524 HG23 ' SG ' ' A' ' 56' ' ' CYS . 46.4 pt -105.76 134.97 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.08 95.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.8 82.45 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -72.58 153.0 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -102.37 159.91 15.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 p -145.0 119.87 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -107.93 141.62 23.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 174.01 10.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.6 mt -67.76 -49.18 63.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 m -58.99 153.04 18.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -119.53 119.85 4.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.94 55.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.8 m -52.47 -58.21 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.5 m -49.95 154.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.459 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -121.54 123.72 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 p -138.86 145.46 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.57 168.9 32.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -151.97 161.72 42.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -125.69 -61.74 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.53 -117.77 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.532 ' C ' HD12 ' A' ' 9' ' ' LEU . 20.5 m-80 -142.79 115.4 8.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 8' ' ' ASN . 5.0 mp -149.54 146.59 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' GLU . 35.0 t -90.84 79.06 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' SER . 13.1 pt-20 34.51 40.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 10' ' ' SER . 4.0 mm? -56.63 90.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.0 p -42.71 142.78 1.3 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 136.92 34.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.434 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -121.09 -72.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' HD11 ' A' ' 25' ' ' LEU . 1.7 mp -103.85 -33.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -46.77 169.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -94.79 167.37 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -102.9 -28.93 11.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 54' ' ' PRO . 16.6 mt -90.63 -60.12 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.8 p -84.01 -21.02 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 60.53 47.64 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -152.66 159.34 28.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 13.2 m-85 -33.97 126.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 37' ' ' THR . 4.9 mt -69.77 102.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.76 -53.2 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 28' ' ' ALA . 17.0 m-20 -132.54 52.75 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB1' HG23 ' A' ' 37' ' ' THR . . . -30.84 138.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . 95.6 m -125.42 96.17 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -72.36 114.99 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 33' ' ' GLU . 2.8 mt -72.42 157.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' HG22 ' A' ' 32' ' ' THR . 19.1 m -100.06 -1.84 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.556 ' H ' HG22 ' A' ' 31' ' ' ILE . 18.3 tt0 -96.16 -70.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -92.28 -10.97 36.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 63.06 54.05 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -111.18 157.75 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.687 HG23 ' HB1' ' A' ' 28' ' ' ALA . 26.8 m -102.1 131.26 48.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 38.9 m-85 -153.05 129.49 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.536 ' O ' HG22 ' A' ' 43' ' ' ILE . 14.5 m -46.75 163.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 44' ' ' VAL . 19.5 tptm -67.63 -50.52 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.7 p -66.46 -47.23 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.2 m -55.24 -66.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 44' ' ' VAL . 10.9 tp -50.45 -47.97 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 40' ' ' LYS . 72.4 t -62.61 -33.49 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -78.99 -24.01 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 19.0 t60 -79.68 -35.37 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.97 -26.52 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.24 -47.22 85.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.81 -44.38 8.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' HIS . 7.8 m -127.01 108.02 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.27 -19.97 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 60.9 mtm180 -73.33 178.85 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.4 t -98.93 132.01 24.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.631 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.5 Cg_endo -69.81 11.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' CYS . 6.0 ttmt -118.88 -69.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 p -87.99 -12.14 45.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.1 m120 62.66 49.75 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.459 HD12 ' OE1' ' A' ' 33' ' ' GLU . 14.8 pt -116.12 132.79 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 59' ' ' VAL . 3.6 p -65.24 83.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.55 126.56 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -45.78 133.16 8.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -93.38 42.89 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.5 m -127.17 110.61 13.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -151.44 142.95 15.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.11 3.84 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.65 137.72 44.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.68 157.99 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.76 103.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -31.83 19.57 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -134.13 124.85 26.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.5 p -60.63 109.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.467 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -42.94 -38.74 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.813 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m 65.43 43.84 3.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.7 98.18 2.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -105.69 93.93 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -68.3 150.31 48.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.54 46.09 3.61 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -156.36 152.66 27.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.374 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -154.1 114.17 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -77.41 -62.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -92.01 111.17 22.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -80.09 97.08 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.2 p -130.33 124.73 21.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.562 0.696 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.13 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -80.08 40.34 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.47 -44.25 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -48.52 175.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -112.6 168.2 9.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -108.55 -24.13 11.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.43 -54.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -99.11 -13.73 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 55.78 42.02 29.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.35 155.19 23.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -39.37 140.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.907 HD23 ' SG ' ' A' ' 39' ' ' CYS . 7.9 mt -79.75 168.6 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.59 -58.56 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 9.1 t70 -91.47 -34.68 14.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.48 54.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 m -79.46 112.43 16.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.5 m -111.78 148.4 33.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.727 HD12 ' SG ' ' A' ' 34' ' ' CYS . 2.5 mt -86.41 158.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 32' ' ' THR . 41.1 m -98.0 -7.87 29.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE2' HD12 ' A' ' 58' ' ' ILE . 21.2 tt0 -89.62 -73.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.727 ' SG ' HD12 ' A' ' 31' ' ' ILE . 1.7 p -85.15 -15.68 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 62.91 54.49 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.609 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 25.5 m170 -111.73 133.07 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.5 m -83.64 133.71 34.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 60.3 m-85 -152.98 126.12 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.907 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.0 m -43.7 146.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -50.91 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -49.67 -43.35 47.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -58.11 -66.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 40' ' ' LYS . 10.2 tp -51.39 -31.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' LYS . 81.4 t -79.96 -31.99 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -77.19 -35.0 56.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -75.12 -31.82 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.9 m-85 -73.47 -22.05 60.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.36 -36.59 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -96.14 -42.32 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -126.76 115.79 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.09 45.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -148.42 167.1 26.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 14.0 t -79.9 127.71 76.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.743 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 7.56 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -113.49 -70.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 p -85.6 -24.51 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.9 t-20 72.87 54.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.492 HD12 ' OE2' ' A' ' 33' ' ' GLU . 33.6 pt -119.81 146.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.59 109.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 58' ' ' ILE . 95.2 t -115.04 121.59 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -69.93 143.71 52.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -62.8 147.98 48.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.3 m -114.12 122.58 47.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.44 152.85 96.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.05 43.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.3 -178.7 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.7 p -159.49 127.75 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.07 121.45 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 107.03 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 m -134.31 133.22 40.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 m -150.96 164.29 36.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.479 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -172.86 115.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -160.49 169.07 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.01 37.81 1.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -150.17 144.41 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -85.49 166.03 16.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.66 -143.01 10.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -82.19 123.93 29.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.7 mm? -115.97 99.54 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 m -100.94 115.02 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -125.28 -28.82 3.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 mt -107.71 26.4 10.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 p -138.25 150.87 68.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.581 ' O ' HD12 ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.77 -175.93 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -88.7 78.85 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 14' ' ' PRO . 4.8 mp -76.96 -47.49 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 mt -49.15 172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -97.36 168.06 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -103.19 -36.83 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.902 HD11 ' HG3' ' A' ' 54' ' ' PRO . 52.9 mt -81.82 -62.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -80.7 -23.17 39.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 60.25 45.73 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.42 169.61 26.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -43.74 131.84 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.62 136.24 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.29 -65.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 2.1 m-20 -93.05 -28.12 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 52.19 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.4 m -80.85 96.61 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.0 m -90.31 140.82 29.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.6 HD12 ' SG ' ' A' ' 34' ' ' CYS . 3.9 mt -82.76 152.29 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 32' ' ' THR . 64.3 m -96.71 -12.45 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.576 ' H ' HG22 ' A' ' 31' ' ' ILE . 4.8 tp10 -81.33 -71.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 31' ' ' ILE . 26.6 p -85.31 -10.33 56.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mm? 62.78 53.14 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 55' ' ' LYS . 48.6 m170 -117.62 145.83 44.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -91.36 131.32 36.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -153.18 129.27 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' HG22 ' A' ' 43' ' ' ILE . 23.0 m -48.84 179.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.604 ' NZ ' HG21 ' A' ' 44' ' ' VAL . 22.7 tptp -80.25 -63.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.499 ' HA ' HG12 ' A' ' 44' ' ' VAL . 48.4 t -60.2 -19.8 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.7 m -78.54 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.596 HG13 ' CE2' ' A' ' 47' ' ' PHE . 10.5 tp -69.32 -39.06 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG21 ' NZ ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -67.55 -28.88 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 41' ' ' SER . 27.5 ttt180 -88.45 -48.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 52' ' ' ARG . 41.7 t-80 -48.48 -26.86 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CE2' HG13 ' A' ' 43' ' ' ILE . 9.6 m-85 -74.88 -31.64 61.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -62.52 -36.34 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -96.74 -44.51 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.6 t -128.99 115.81 18.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -77.36 42.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 67.5 mtt180 -144.11 177.02 8.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 23.2 t -95.12 130.37 32.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.902 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.3 Cg_endo -69.75 7.99 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HB3' ' ND1' ' A' ' 36' ' ' HIS . 4.7 ttmt -116.19 -68.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 57' ' ' ASN . 4.6 p -89.68 -19.85 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 47.6 t30 66.8 54.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.463 HG13 HG23 ' A' ' 60' ' ' VAL . 35.0 pt -116.08 137.85 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.41 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.463 HG23 HG13 ' A' ' 58' ' ' ILE . 97.8 t -87.89 131.75 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -60.49 176.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -130.66 107.54 9.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 45.7 p -126.25 150.12 48.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -132.9 152.65 80.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 168.14 22.38 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tp -106.35 41.51 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -121.65 149.16 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' SER . . . -73.57 143.46 32.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.9 Cg_endo -69.79 11.8 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.331 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 69' ' ' PRO . 20.9 t -28.05 96.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' PRO . 23.8 m -100.46 175.69 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -153.67 132.12 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -161.15 173.38 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.42 -175.67 30.63 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -143.18 144.46 32.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -150.49 177.08 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.73 175.31 42.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -123.99 170.88 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.0 pp -120.88 131.88 54.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -73.75 172.33 11.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -106.92 35.39 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt -152.6 106.23 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.1 p -134.55 151.64 76.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 140.25 42.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 2.6 p90 -83.26 40.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.3 mm -106.0 95.8 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -153.34 -178.88 7.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -114.37 168.35 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 t -103.81 -35.44 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' A' ' 42' ' ' CYS . 17.3 mt -82.56 -64.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -81.84 -22.33 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 61.57 41.36 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -136.79 156.29 23.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 14.8 m-85 -33.98 137.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 37' ' ' THR . 6.1 mt -81.96 131.49 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.35 -59.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 36.6 t0 -77.17 -46.68 22.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.98 48.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.9 m -79.71 102.46 9.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -96.49 141.71 29.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 47.2 mt -100.41 89.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' ILE . 98.6 m -31.79 -40.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HG2' HD12 ' A' ' 58' ' ' ILE . 5.5 tp10 -41.84 -56.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -118.36 15.01 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 44.25 44.85 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.657 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 34.4 m170 -110.05 129.74 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.664 HG21 HD13 ' A' ' 25' ' ' LEU . 20.3 m -84.84 141.4 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 61.1 m-85 -152.87 135.35 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.744 ' O ' HG22 ' A' ' 43' ' ' ILE . 10.6 m -61.5 140.21 58.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.0 tptm -47.05 -60.22 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -57.15 -43.66 82.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.447 ' HB3' HD12 ' A' ' 20' ' ' ILE . 90.0 m -61.6 -67.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 39' ' ' CYS . 7.2 tp -52.48 -44.95 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' LYS . 43.5 t -60.09 -45.22 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -72.78 -28.83 62.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -67.92 -37.56 81.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' SER . 5.6 m-85 -66.69 -26.42 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.44 -39.6 91.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -91.22 -44.47 9.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 6.3 t -136.92 119.54 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -76.55 44.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -137.4 177.47 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.8 t -91.19 129.93 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 4.33 2.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -109.91 -71.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.8 p -87.89 -25.21 23.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.1 m-20 73.36 51.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.6 HD12 ' HG2' ' A' ' 33' ' ' GLU . 47.8 pt -105.82 138.69 29.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.16 91.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.59 144.65 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -120.82 178.52 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 62.42 48.04 4.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 m -56.41 114.38 1.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.428 ' H ' ' CD ' ' A' ' 64' ' ' GLN . 3.1 mp0 -40.37 129.99 1.72 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 166.3 27.99 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 67' ' ' SER . 1.9 pp -83.12 27.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 66' ' ' LEU . 8.7 t -33.25 -49.21 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.94 102.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.34 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -77.57 131.72 37.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.2 m -155.18 111.46 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.494 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -135.94 159.61 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.937 0.399 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -149.41 164.72 34.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.13 133.26 3.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -171.91 134.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -122.07 153.03 39.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.49 -85.13 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.5 178.64 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.4 mp -109.4 143.55 38.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' GLU . 50.4 m -124.53 169.36 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' SER . 7.2 pt-20 -37.65 154.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.733 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.4 pt? -90.19 133.22 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -146.47 145.84 25.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.553 0.692 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.87 2.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -83.63 30.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 mm -119.06 -56.89 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 mt -50.05 171.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 48.7 t -103.06 164.77 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -92.99 -31.67 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.24 -62.47 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -71.71 -30.99 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 60.0 mmtt 63.01 47.11 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -159.79 159.5 30.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' GLY . 30.8 m-85 -34.89 143.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -86.37 162.96 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.4 mp -114.99 -55.75 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 8.2 t0 -96.89 -35.96 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.71 54.63 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -80.04 99.6 7.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 m -92.82 132.1 37.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.637 HG22 ' N ' ' A' ' 32' ' ' THR . 27.3 mt -70.46 168.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.637 ' N ' HG22 ' A' ' 31' ' ' ILE . 32.9 m -108.6 -38.23 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' CG ' HD12 ' A' ' 58' ' ' ILE . 11.8 tt0 -59.24 -72.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.9 p -86.33 -14.41 43.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 12.5 mt 64.03 53.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' HB2' HD12 ' A' ' 31' ' ' ILE . 37.6 m170 -109.22 164.78 12.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.3 m -111.14 129.62 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -153.71 131.12 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m -48.92 122.97 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 11.9 tmtt? -39.03 -27.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' CYS . 4.0 m -79.36 -67.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.8 tp -56.02 -46.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.554 ' N ' HG23 ' A' ' 43' ' ' ILE . 30.0 t -72.19 -32.15 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 45' ' ' ARG . 4.9 tmm_? -69.08 -32.26 71.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -79.39 -30.87 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 60' ' ' VAL . 8.1 m-85 -74.77 -26.17 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.54 -37.63 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -107.5 -45.1 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 55.0 m -105.85 105.13 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -74.47 47.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -155.05 157.85 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.0 t -74.94 127.63 86.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -112.79 -67.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.506 ' SG ' HG23 ' A' ' 58' ' ' ILE . 5.8 p -96.4 -16.17 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 8.5 m120 69.27 51.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG13 HG23 ' A' ' 60' ' ' VAL . 38.2 pt -110.38 152.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.57 100.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG23 HG13 ' A' ' 58' ' ' ILE . 86.5 t -114.71 81.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -89.56 162.52 15.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -135.45 168.46 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.0 p -132.76 117.35 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -103.0 134.79 19.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.711 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 156.17 64.06 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.3 mt -50.66 -48.4 58.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.8 m -116.88 157.92 24.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.69 -80.94 1.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 164.15 35.59 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.75 2.3 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 m -136.2 138.08 41.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.2 t -141.64 107.8 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.487 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 p -166.03 165.17 18.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.36 161.07 21.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 136.76 2.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -149.7 108.9 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -142.9 171.88 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.65 -165.7 13.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.43 ' C ' ' HG ' ' A' ' 9' ' ' LEU . 20.8 t30 -150.69 110.87 4.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 8' ' ' ASN . 6.4 mt -148.52 128.89 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t -157.34 125.48 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -134.2 127.86 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.56 134.67 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.8 p -60.24 148.57 78.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 111.176 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.09 32.09 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.623 2.215 . . . . 0.0 112.359 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -84.54 -74.19 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 25' ' ' LEU . 52.0 mt -145.15 105.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt -144.64 173.1 12.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 38.5 t -100.7 165.63 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 m -106.15 -28.98 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mt -80.58 -63.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -87.06 -19.18 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 29.1 mmmt 62.85 39.45 10.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.22 -132.19 3.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -111.58 135.34 52.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 0.0 110.912 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.633 HD23 ' SG ' ' A' ' 39' ' ' CYS . 3.1 mt -78.36 112.78 15.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.29 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 30.2 t70 -79.71 -36.59 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 72.4 54.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 38' ' ' PHE . 7.1 t -78.83 151.27 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.5 m -150.81 133.88 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 mt -100.14 88.01 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 31' ' ' ILE . 33.2 m -31.37 -43.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' THR . 8.4 tt0 -34.49 -50.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -117.02 -8.59 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 35' ' ' LEU . 10.2 mt 64.05 44.22 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.602 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 39.6 m170 -108.49 133.46 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 9.2 m -87.57 144.78 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 29' ' ' THR . 57.3 m-85 -152.54 163.21 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.633 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.4 m -91.04 158.24 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 44' ' ' VAL . 20.9 tptm -55.48 -63.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 m -57.0 -34.88 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.0 m -65.35 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -59.61 -27.07 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 40' ' ' LYS . 75.5 t -82.98 -33.48 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.57 -31.77 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.569 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 75.1 t60 -76.28 -37.28 57.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.4 m-85 -69.42 -18.08 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' A' ' 44' ' ' VAL . 3.3 m-85 -72.39 -44.62 62.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -95.58 -44.25 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -118.75 117.54 29.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -84.58 43.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 26.4 mtt180 -147.11 157.24 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 19.5 t -67.49 124.13 88.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.79 7.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -108.63 -70.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.9 -14.08 37.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 12.4 m120 71.85 50.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 pt -117.08 133.55 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.51 ' N ' ' HG2' ' A' ' 52' ' ' ARG . 7.2 p -75.25 115.87 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.8 143.19 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -46.71 107.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -93.09 177.09 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 m -101.32 108.36 19.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' CD ' ' HD2' ' A' ' 65' ' ' PRO . 8.1 tp60 -103.35 141.84 23.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 64' ' ' GLN . 54.1 Cg_endo -69.76 -165.76 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.32 -47.68 55.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -64.61 103.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' SER . . . 172.76 -147.22 9.62 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 12.63 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 68' ' ' GLY . 15.8 m -85.91 -60.87 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.5 p -84.0 87.36 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.494 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -85.03 -57.84 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -169.21 174.53 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.17 -129.74 5.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -173.65 157.85 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -139.48 171.76 13.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.93 176.14 31.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -174.39 111.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.1 mt -142.12 156.67 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.6 t -171.64 154.74 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.49 4.86 36.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.1 mm? -97.9 176.08 5.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -40.18 116.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 3.53 2.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.306 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' ILE . 40.5 m-85 -72.45 -49.88 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' TYR . 1.8 mp -33.89 -51.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.3 mt -53.85 177.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 t -113.72 167.45 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.05 -24.82 13.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 42' ' ' CYS . 28.9 mt -93.74 -64.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.34 -15.49 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt 56.33 42.8 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.66 161.22 25.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -45.83 145.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.834 HD23 ' SG ' ' A' ' 39' ' ' CYS . 4.8 mt -87.8 147.73 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.9 mp -105.55 -54.13 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 1.4 t70 -91.33 -33.57 15.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 67.97 54.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.2 m -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.0 m -110.41 135.74 50.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 32' ' ' THR . 20.4 mt -73.03 168.91 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 31' ' ' ILE . 89.0 m -108.69 -39.02 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' ' 58' ' ' ILE . 3.0 tp10 -54.91 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.8 p -87.71 -22.97 24.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tp 72.53 52.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 36.9 m170 -111.98 141.59 45.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.9 m -87.36 131.12 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -153.66 136.45 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.834 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.8 m -55.19 126.35 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -38.21 -50.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -62.63 -46.67 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' HB3' HD12 ' A' ' 20' ' ' ILE . 20.0 m -58.51 -62.76 1.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.1 tp -48.52 -39.21 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -75.37 -33.26 27.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 45' ' ' ARG . 6.4 ttp85 -76.12 -25.5 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -79.08 -28.05 43.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 43' ' ' ILE . 11.0 m-85 -70.31 -25.77 63.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -65.23 -39.78 93.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -92.51 -43.05 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 48.1 t -132.91 116.87 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.02 43.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -142.8 -178.35 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.4 t -95.41 132.38 27.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.66 5.4 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.394 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.4 ttmt -115.78 -70.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.2 p -87.18 -26.78 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 2.5 m120 75.07 54.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' ' 33' ' ' GLU . 32.2 pt -116.25 134.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.63 94.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 58' ' ' ILE . 69.4 t -89.03 88.87 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -81.3 43.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -101.7 158.87 15.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 63' ' ' THR . 11.5 m 67.33 45.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.441 ' CD ' ' H ' ' A' ' 64' ' ' GLN . 3.8 pm0 -84.35 138.24 39.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.31 35.29 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.59 109.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.5 p -59.44 125.39 23.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.15 171.13 36.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 2.08 3.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.1 p -116.64 133.45 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -135.01 126.47 28.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.456 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -140.98 144.83 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -172.78 147.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.43 149.73 21.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -150.98 143.14 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -131.32 103.24 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.76 44.25 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -99.67 135.54 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -174.09 156.09 2.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.8 m -148.71 123.55 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -145.14 115.27 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.85 76.81 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.2 p -142.03 154.7 65.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 124.97 11.64 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.38 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -96.09 121.05 37.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.9 mt -76.62 -26.77 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.08 177.02 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' CB ' ' SG ' ' A' ' 21' ' ' CYS . 10.2 t -108.53 168.28 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -102.79 -33.13 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.727 HD11 ' HG3' ' A' ' 54' ' ' PRO . 22.6 mt -87.39 -59.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 18' ' ' CYS . 19.4 p -80.57 -19.44 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 58.61 47.69 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -150.25 -152.58 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -62.75 127.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 mt -67.47 85.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 8.3 mt -70.78 126.72 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.1 t0 42.56 41.19 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -24.92 130.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.0 m -130.49 109.5 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 m -88.08 153.12 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.493 HD12 ' SG ' ' A' ' 34' ' ' CYS . 69.9 mt -95.08 145.27 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 32' ' ' THR . 5.8 m -86.46 27.83 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 31' ' ' ILE . 4.5 tm-20 -135.01 -68.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.493 ' SG ' HD12 ' A' ' 31' ' ' ILE . 1.7 p -89.11 -9.05 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt 58.85 47.12 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 31.3 m170 -104.14 125.68 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.585 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 86.0 m -81.6 126.74 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 37' ' ' THR . 28.8 m-85 -151.47 127.04 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 43' ' ' ILE . 8.3 m -34.45 142.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 27' ' ' ASP . 8.6 tmtt? -61.15 -34.67 75.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 m -76.77 -34.72 57.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.3 m -68.83 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 47' ' ' PHE . 7.6 tp -48.93 -45.42 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' N ' HG23 ' A' ' 43' ' ' ILE . 39.8 t -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -65.42 -38.92 91.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -71.72 -29.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.0 m-85 -71.0 -24.74 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -70.1 -40.06 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.26 -43.59 10.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.9 t -127.02 118.23 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -77.23 44.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -145.83 171.41 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 40.2 t -84.05 129.57 58.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.727 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.5 Cg_endo -69.77 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -116.23 -68.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 p -92.79 -14.55 27.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.8 m120 63.27 55.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.459 HG13 HG23 ' A' ' 60' ' ' VAL . 45.4 pt -111.84 154.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.586 HG12 ' HB3' ' A' ' 62' ' ' GLN . 71.2 t -77.33 98.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 58' ' ' ILE . 95.6 t -100.09 -51.36 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 62' ' ' GLN . 3.0 t-160 -61.1 -43.57 98.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HB3' HG12 ' A' ' 59' ' ' VAL . 13.5 pt20 32.99 44.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.8 m -123.73 110.87 15.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -43.52 132.78 3.68 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 153.72 68.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.8 pp -110.51 133.81 52.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.3 m -59.32 -52.14 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' HA2' ' HD2' ' A' ' 69' ' ' PRO . . . -37.64 107.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.426 ' HD2' ' HA2' ' A' ' 68' ' ' GLY . 53.9 Cg_endo -69.74 -173.96 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.381 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -103.72 124.45 48.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.8 t -85.39 -58.63 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.481 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -125.26 147.81 48.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 110.877 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -169.19 162.73 10.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.12 149.88 6.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -104.34 114.74 29.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -86.19 -48.12 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 161.05 45.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -136.22 167.62 20.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.681 HD23 ' H ' ' A' ' 9' ' ' LEU . 2.6 pt? -88.98 130.93 35.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -134.33 80.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -157.39 105.21 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.26 103.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.4 p -132.88 149.76 73.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 85.78 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -53.26 101.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 25' ' ' LEU . 56.9 mt -65.79 99.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -153.33 178.53 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -109.32 166.42 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.6 m -105.17 -30.95 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.2 mt -83.72 -64.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.04 -20.47 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 59.41 47.28 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.09 -155.95 9.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -91.44 125.36 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 16' ' ' ILE . 13.9 mt -67.26 85.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.0 tp -60.87 -38.87 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.521 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -104.57 -36.32 7.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 55.03 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.8 m -85.33 124.04 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 36' ' ' HIS . 67.3 m -113.26 149.94 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.751 HG22 ' H ' ' A' ' 33' ' ' GLU . 17.0 mt -78.85 148.98 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.616 ' O ' HG22 ' A' ' 32' ' ' THR . 56.9 m -92.76 2.63 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.751 ' H ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -102.8 -72.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.704 ' SG ' HD12 ' A' ' 31' ' ' ILE . 17.6 p -84.37 -12.29 54.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 31' ' ' ILE . 3.5 mm? 62.79 51.8 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.504 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 46.1 m170 -110.97 140.63 45.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.4 128.2 34.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 31.5 m-85 -152.97 117.56 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.53 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.6 m -37.81 131.96 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 11.1 tmtt? -43.47 -52.1 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.0 m -61.26 -45.15 95.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.11 -66.34 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -46.67 -41.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 t -71.46 -35.05 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.455 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 24.2 ttt180 -75.03 -27.87 60.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -81.28 -26.49 35.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 60' ' ' VAL . 4.5 m-85 -75.24 -27.05 59.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.51 -36.68 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 16.4 m-85 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -125.04 112.18 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -75.68 47.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 28.7 mtt85 -147.75 177.65 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 17.5 t -95.24 125.79 48.78 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 10.45 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HD3' ' CG ' ' A' ' 36' ' ' HIS . 1.8 tttt -114.56 -70.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.406 ' SG ' HG23 ' A' ' 58' ' ' ILE . 4.9 p -90.72 -7.12 53.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.9 m-20 62.69 52.92 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG23 ' SG ' ' A' ' 56' ' ' CYS . 26.4 pt -117.73 137.86 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.5 p -69.47 110.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 69.8 t -105.71 116.62 49.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.63 75.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -160.33 122.44 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.5 m -86.78 -52.64 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -154.56 151.81 24.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.28 30.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 pp -46.19 -39.82 10.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -83.88 80.7 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.96 101.24 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 107.07 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.5 m -49.87 107.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 t -137.39 140.04 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.51 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t 67.03 42.66 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 m -144.03 174.6 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.44 125.38 2.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -159.11 119.0 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 p -172.08 136.67 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.99 54.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.96 102.17 6.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.3 pp -145.39 127.41 15.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -167.21 107.44 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -122.65 132.79 54.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.42 105.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.3 p -131.09 153.4 81.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.562 0.696 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 172.88 11.81 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 17.5 p90 -78.08 47.2 0.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.0 mm -111.15 -44.07 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.8 176.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 t -107.4 166.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -107.82 -26.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 38' ' ' PHE . 4.4 mp -83.25 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -92.54 -19.49 21.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 61.52 48.42 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -150.16 152.75 24.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m-85 -34.52 131.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.939 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.677 HD23 ' SG ' ' A' ' 39' ' ' CYS . 10.9 mt -65.57 158.4 27.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.1 mp -111.68 -69.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.5 m-20 -83.42 -33.83 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 73.5 51.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.6 m -80.81 98.41 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.453 HG23 ' C ' ' A' ' 36' ' ' HIS . 87.2 m -99.53 137.48 37.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.649 HG22 ' H ' ' A' ' 33' ' ' GLU . 7.4 mt -76.66 158.32 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 31' ' ' ILE . 32.7 m -101.15 -19.62 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.649 ' H ' HG22 ' A' ' 31' ' ' ILE . 14.4 tt0 -72.26 -71.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.9 p -86.98 -10.35 53.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 5.9 mp 62.36 54.41 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.453 ' C ' HG23 ' A' ' 30' ' ' THR . 36.1 m170 -117.85 135.74 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.3 m -85.94 138.02 32.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 40.6 m-85 -153.01 151.0 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.677 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.2 m -71.08 128.9 37.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -40.21 -48.9 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -65.07 -49.84 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.7 m -57.37 -65.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.9 tp -42.0 -45.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' N ' HG23 ' A' ' 43' ' ' ILE . 42.1 t -71.48 -34.8 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.5 ttp85 -72.21 -27.08 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 57.9 t-80 -81.53 -30.32 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.499 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.6 m-85 -70.59 -24.96 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.31 -44.76 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -92.37 -44.27 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.486 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 5.8 t -124.22 111.95 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -76.02 44.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' NH1' ' CG2' ' A' ' 59' ' ' VAL . 42.9 mtt-85 -145.72 172.36 13.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 21.5 t -84.59 130.19 54.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.541 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 53.5 Cg_endo -69.78 8.15 0.84 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.736 2.29 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.1 tptt -115.8 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.405 ' SG ' HG12 ' A' ' 58' ' ' ILE . 3.3 p -87.75 -17.71 31.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 11.9 m120 64.73 54.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG12 ' SG ' ' A' ' 56' ' ' CYS . 46.0 pt -113.71 154.79 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' CG2' ' NH1' ' A' ' 52' ' ' ARG . 60.6 t -77.68 94.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.89 98.53 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -149.67 109.52 4.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -56.23 95.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 63' ' ' THR . 9.7 t -49.51 120.75 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.425 ' C ' ' H ' ' A' ' 66' ' ' LEU . 8.3 tp60 -167.05 139.08 2.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.692 ' HG2' HD23 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.71 12.09 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.38 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD23 ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -171.13 109.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -57.05 167.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.05 70.78 0.44 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.58 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.9 t 47.23 40.93 11.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -133.43 153.47 51.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.5 132.58 51.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 1.7 m -63.46 -19.97 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 42' ' ' CYS . 66.3 mt -99.43 -65.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -62.77 -27.43 69.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp 62.2 25.1 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.74 -126.88 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -90.88 163.72 14.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 110.95 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.64 166.92 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.5 mp -120.35 -61.99 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.2 t0 -85.67 -42.14 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.74 47.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.6 m -79.78 114.35 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -95.22 137.37 34.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 33' ' ' GLU . 23.7 mt -76.28 145.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 32' ' ' THR . 87.0 m -93.33 11.12 29.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.741 ' H ' HG22 ' A' ' 31' ' ' ILE . 35.1 tt0 -109.3 -68.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 -2.47 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.1 mm? 57.31 53.76 7.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.59 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 27.8 m170 -112.22 148.41 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.7 m -90.16 128.49 36.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 38.4 m-85 -152.58 133.43 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.24 136.45 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 tptm -40.54 -55.45 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.3 m -61.66 -38.72 88.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.576 ' HB3' HD12 ' A' ' 20' ' ' ILE . 3.5 m -62.4 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -57.46 -39.69 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' LYS . 54.8 t -66.79 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.04 -42.18 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 11.1 t60 -65.64 -28.92 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.4 m-85 -76.37 -15.49 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.93 -37.89 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -95.94 -43.63 7.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.978 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -128.05 126.49 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.84 33.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 63.4 mtm180 -127.41 175.11 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 43.5 t -94.73 126.61 46.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.77 10.0 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.59 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -112.86 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.578 ' SG ' HG23 ' A' ' 58' ' ' ILE . 5.5 p -93.83 -16.39 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER 73.96 46.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.578 HG23 ' SG ' ' A' ' 56' ' ' CYS . 21.9 pt -110.28 134.66 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 59' ' ' VAL . 3.0 p -72.52 87.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.3 t -97.0 170.23 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -110.2 -26.11 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.955 HD11 ' HG3' ' A' ' 54' ' ' PRO . 86.1 mt -90.62 -49.62 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 12.5 p -108.04 4.23 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 37.8 36.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.91 164.85 20.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -46.04 129.41 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 21.2 mt -65.51 86.83 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.8 tp -58.18 -45.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 26' ' ' ILE . 1.5 m-20 -132.0 47.89 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . . . -31.32 137.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' PHE . 27.8 m -131.65 95.95 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.0 m -61.56 148.44 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' HIS . 65.1 mt -125.85 83.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 31' ' ' ILE . 96.8 m -31.01 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HG2' HD12 ' A' ' 58' ' ' ILE . 5.8 tp10 -47.18 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.88 26.76 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 40.32 33.27 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 46.7 m170 -104.34 142.43 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -115.07 145.26 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 20.0 m-85 -152.08 147.62 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.568 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.5 m -54.35 145.15 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -52.6 -58.21 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -56.72 -45.63 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HB3' HD12 ' A' ' 20' ' ' ILE . 44.0 m -58.75 -66.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 44' ' ' VAL . 11.3 tp -53.12 -50.92 43.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.633 ' N ' HG23 ' A' ' 43' ' ' ILE . 22.5 t -55.65 -41.83 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -70.51 -34.17 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 22.2 t60 -67.9 -36.98 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -71.13 -28.45 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.8 -36.74 77.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -102.65 -45.45 5.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' HIS . 1.7 m -130.53 118.62 21.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 43.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 36.9 mtp180 -129.62 173.43 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -95.73 130.16 32.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.955 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.78 8.39 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -113.84 -67.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 58' ' ' ILE . 7.1 p -93.44 -21.28 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 16.8 m-80 71.39 54.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.6 HD12 ' HG2' ' A' ' 33' ' ' GLU . 43.3 pt -111.69 137.85 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.5 t -69.91 79.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 58' ' ' ILE . 61.0 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.905 0.384 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.66 167.29 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -109.95 -23.31 11.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.496 HD11 ' HG3' ' A' ' 54' ' ' PRO . 5.3 mp -89.6 -53.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 p -101.94 -14.69 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.68 38.39 25.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.47 -172.36 13.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -68.56 135.89 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.961 0.41 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.854 HD23 ' SG ' ' A' ' 39' ' ' CYS . 8.8 mt -82.11 130.09 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.23 -48.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 10.0 t70 -88.71 -42.4 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.63 54.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 38' ' ' PHE . 7.4 m -80.83 110.03 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.2 m -99.78 149.12 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' GLU . 12.0 mt -105.39 92.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.704 ' O ' HD22 ' A' ' 35' ' ' LEU . 27.2 m -32.82 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.7 tt0 -49.96 -66.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -108.25 19.12 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 32' ' ' THR . 4.3 mm? 38.27 47.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 39.1 m170 -110.73 130.01 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.0 m -83.33 135.81 34.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 50.5 m-85 -152.59 130.08 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.854 ' SG ' HD23 ' A' ' 25' ' ' LEU . 9.1 m -47.35 121.25 3.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -41.73 -30.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 p -82.03 -33.72 29.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' CYS . 50.2 m -79.22 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.642 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -38.73 -32.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.11 -41.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.9 mtt-85 -65.76 -43.3 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -57.98 -25.7 61.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CE2' HD12 ' A' ' 43' ' ' ILE . 5.5 m-85 -75.29 -27.23 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -67.81 -31.75 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -101.47 -43.45 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -127.23 115.83 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.33 49.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -151.27 -176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -98.41 135.67 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.7 Cg_endo -69.8 9.39 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -121.96 -65.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.58 ' SG ' HG23 ' A' ' 58' ' ' ILE . 11.5 p -98.73 3.33 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 13.0 p30 44.41 53.25 7.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.58 HG23 ' SG ' ' A' ' 56' ' ' CYS . 34.2 pt -104.92 133.15 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.99 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.7 t -110.22 165.46 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -97.52 -26.49 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.731 HD11 ' HG3' ' A' ' 54' ' ' PRO . 69.5 mt -92.22 -56.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -80.94 -21.09 40.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.85 31.83 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.33 -154.55 6.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.83 146.9 54.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -91.9 124.66 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -86.75 -65.14 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 28' ' ' ALA . 66.8 m-20 -114.97 52.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 37' ' ' THR . . . -27.29 135.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' PHE . 15.9 m -127.52 96.59 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.6 m -66.72 135.39 53.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' GLU . 44.0 mt -116.49 86.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.557 ' O ' HD22 ' A' ' 35' ' ' LEU . 95.4 m -32.09 -35.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.748 ' HG3' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -49.43 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -103.89 11.11 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 32' ' ' THR . 2.9 mm? 53.17 25.06 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 43.4 m170 -90.16 165.56 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.792 ' CG2' ' HB1' ' A' ' 28' ' ' ALA . 22.2 m -130.62 139.19 50.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 15.9 m-85 -152.59 146.94 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 m -54.51 142.02 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HE2' HG21 ' A' ' 44' ' ' VAL . 20.3 tptm -64.55 -11.57 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.1 p -94.89 -42.24 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' HB2' HG21 ' A' ' 20' ' ' ILE . 21.8 p -80.22 -47.15 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.575 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -57.93 -39.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 48.1 t -76.32 -36.0 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -76.59 -22.86 53.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 70.2 t60 -71.27 -31.45 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' A' ' 43' ' ' ILE . 20.5 m-85 -72.29 -24.1 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.42 -44.22 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -98.72 -40.45 8.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -128.13 104.19 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.65 50.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -156.15 137.58 13.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 49.0 t -53.31 127.71 48.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.731 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.0 Cg_endo -69.73 6.56 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.523 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.0 ttmt -108.52 -69.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.2 p -89.94 -21.96 22.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.5 t-20 74.97 51.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.764 HG13 HG23 ' A' ' 60' ' ' VAL . 35.3 pt -109.07 143.58 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.94 89.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 58' ' ' ILE . 96.5 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -113.7 167.52 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -108.4 -28.62 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.801 HD11 ' HG3' ' A' ' 54' ' ' PRO . 12.2 mt -87.42 -55.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.1 p -92.75 -20.94 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm 61.33 40.7 13.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.71 160.08 24.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.12 130.99 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' SG ' ' A' ' 39' ' ' CYS . 4.5 mt -74.49 114.48 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.1 mm -75.56 -67.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.7 t70 -73.83 -42.14 61.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.55 50.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -81.66 102.22 10.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -98.18 121.54 40.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 32' ' ' THR . 37.2 mt -66.97 163.03 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.57 ' N ' HG22 ' A' ' 31' ' ' ILE . 94.5 m -103.17 -35.54 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' ILE . 10.5 tt0 -51.75 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 35' ' ' LEU . 1.1 p -112.24 29.06 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 34' ' ' CYS . 15.3 mt 28.02 50.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 34' ' ' CYS . 38.5 m170 -108.49 140.58 41.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -85.13 136.74 33.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 61.7 m-85 -152.68 141.15 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.727 ' O ' HG22 ' A' ' 43' ' ' ILE . 10.0 m -69.79 155.72 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HE3' HG21 ' A' ' 44' ' ' VAL . 32.0 tptt -66.99 -35.67 80.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -83.56 -9.04 59.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 m -99.29 -52.88 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 39' ' ' CYS . 9.3 tp -66.01 -41.24 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.479 HG21 ' HE3' ' A' ' 40' ' ' LYS . 83.9 t -67.48 -38.78 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.51 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -79.14 -34.97 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 77.5 t60 -64.45 -32.43 74.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.646 ' CZ ' HD11 ' A' ' 43' ' ' ILE . 8.0 m-85 -72.88 -25.43 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.41 -35.24 78.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 6.2 m-85 -96.62 -43.24 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.1 t -134.94 120.44 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -80.4 42.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 24.0 mtm180 -139.75 164.86 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.3 t -85.78 127.38 62.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.708 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.801 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.3 Cg_endo -69.74 8.33 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -110.42 -66.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.575 ' SG ' HG23 ' A' ' 58' ' ' ILE . 4.5 p -94.99 -14.1 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 t-20 70.66 43.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.575 HG23 ' SG ' ' A' ' 56' ' ' CYS . 23.8 pt -105.9 141.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.89 98.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG23 HG13 ' A' ' 58' ' ' ILE . 59.6 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.819 0.343 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t -103.41 169.13 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -97.37 -40.1 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.81 HD11 ' HG3' ' A' ' 54' ' ' PRO . 21.3 mt -84.77 -69.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.41 -18.7 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt 55.37 40.71 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.16 -149.77 6.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -85.83 138.0 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.933 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 39' ' ' CYS . 12.5 mt -76.75 145.68 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.32 -64.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 21.5 t0 -84.23 -35.64 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 69.47 55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 38' ' ' PHE . 1.3 t -78.56 142.39 37.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 36' ' ' HIS . 89.2 m -127.71 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 32' ' ' THR . 23.3 mt -111.76 83.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.528 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.7 m -27.18 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.7 tp10 -33.37 -52.35 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.19 -8.74 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 35' ' ' LEU . 9.8 mt 64.35 50.15 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.866 ' O ' HG23 ' A' ' 30' ' ' THR . 20.7 m170 -109.16 178.14 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -126.12 138.97 53.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m-85 -153.34 164.15 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 25' ' ' LEU . 10.2 m -89.8 162.1 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.747 ' O ' HG23 ' A' ' 44' ' ' VAL . 56.6 tptt -59.93 -57.55 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -62.49 -40.13 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.89 -53.94 48.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.0 tp -69.35 -31.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 40' ' ' LYS . 41.3 t -71.99 -37.92 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -83.34 -42.44 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.561 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 65.6 t60 -52.96 -32.93 48.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -70.28 -24.33 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.93 -36.67 59.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -88.3 -43.95 11.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 t -137.98 143.09 40.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -85.0 -24.32 28.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.528 ' NH1' HG23 ' A' ' 59' ' ' VAL . 66.8 mtt-85 -71.49 177.26 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 36.2 t -88.73 136.89 30.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.684 0.754 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.81 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.3 Cg_endo -69.76 10.44 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -122.66 -70.51 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.481 ' SG ' HG23 ' A' ' 58' ' ' ILE . 7.9 p -89.39 -13.58 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 m120 62.68 53.26 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.481 HG23 ' SG ' ' A' ' 56' ' ' CYS . 32.6 pt -107.37 132.93 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.528 HG23 ' NH1' ' A' ' 52' ' ' ARG . 69.0 t -56.96 91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 58' ' ' ILE . 86.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -76.71 166.01 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -110.05 -17.73 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.444 HD11 ' HG3' ' A' ' 54' ' ' PRO . 66.9 mt -97.97 -41.19 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.5 p -112.18 2.87 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? 41.48 34.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.96 151.73 17.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -42.84 146.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.976 0.417 . . . . 0.0 110.93 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.34 146.95 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.0 mm -108.08 -61.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.76 -31.69 17.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.93 54.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.5 m -80.49 115.5 20.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -105.1 151.18 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 32' ' ' THR . 2.7 mm -77.68 169.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.587 ' H ' HG22 ' A' ' 31' ' ' ILE . 22.2 m -103.11 -28.76 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' CD ' ' C ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -84.36 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -80.83 -20.73 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp 63.14 46.1 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.429 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 30.9 m170 -99.79 134.62 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.7 m -83.91 131.13 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -153.26 133.32 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 43' ' ' ILE . 8.7 m -46.48 133.26 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 44' ' ' VAL . 36.9 tptt -46.13 -46.3 17.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 52.0 m -66.41 -51.02 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -56.27 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 39' ' ' CYS . 8.8 tp -46.64 -43.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 40' ' ' LYS . 73.0 t -68.64 -35.52 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 41' ' ' SER . 9.0 ttt85 -69.85 -37.62 76.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.38 -27.93 65.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 43' ' ' ILE . 7.5 m-85 -71.27 -25.24 62.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -66.5 -40.61 89.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -90.86 -44.05 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 1.7 m -129.19 117.8 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -75.0 48.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 58' ' ' ILE . 52.1 mtt-85 -148.32 179.95 7.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.5 t -93.55 132.26 30.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.444 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.81 8.92 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 1.8 tptt -116.85 -64.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.13 -15.97 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 56.7 m-20 62.85 54.44 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 60' ' ' VAL . 35.6 pt -115.59 137.9 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.11 94.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' ILE . 58.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 9.6 t -97.74 170.32 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -108.13 -27.38 10.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.407 HD11 ' HG3' ' A' ' 54' ' ' PRO . 22.7 mt -92.27 -49.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.9 p -102.55 -10.81 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 48.35 54.34 10.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -146.85 153.91 25.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.3 m-85 -35.22 139.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.741 HD23 ' SG ' ' A' ' 39' ' ' CYS . 47.8 mt -83.17 138.64 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.32 -59.91 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 28.2 t0 -82.73 -34.49 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.06 53.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -79.28 134.03 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -119.02 145.28 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' GLU . 29.4 mt -106.86 80.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.578 ' O ' HD22 ' A' ' 35' ' ' LEU . 46.2 m -33.41 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ILE . 7.1 tt0 -46.08 -49.71 16.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -124.16 2.81 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 32' ' ' THR . 3.6 mm? 61.96 44.78 7.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.576 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 51.6 m170 -114.47 144.09 43.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -104.26 139.27 39.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' CYS . 70.7 m-85 -153.57 121.08 5.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.741 ' SG ' HD23 ' A' ' 25' ' ' LEU . 14.9 m -34.63 151.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' A' ' 44' ' ' VAL . 19.3 tptp -58.42 -57.23 13.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -58.49 -44.26 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.59 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' CYS . 11.0 tp -54.35 -42.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.556 HG21 ' NZ ' ' A' ' 40' ' ' LYS . 42.9 t -68.04 -33.45 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.73 -23.08 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 23.2 t60 -80.01 -33.13 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -73.4 -27.84 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -61.1 -46.16 91.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -95.35 -44.0 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.8 m -119.56 105.62 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -78.17 41.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HE ' HG22 ' A' ' 59' ' ' VAL . 96.8 mtt180 -144.23 146.34 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.5 t -68.78 127.68 93.09 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 54.3 Cg_endo -69.72 8.17 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.73 2.287 . . . . 0.0 112.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HD3' ' CD2' ' A' ' 36' ' ' HIS . 2.5 tttt -109.76 -70.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 58' ' ' ILE . 3.9 p -89.77 -10.99 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 2.5 m-20 60.1 53.7 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 38.9 pt -108.86 152.3 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG22 ' HE ' ' A' ' 52' ' ' ARG . 61.0 t -78.78 89.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HG ' ' HG ' ' A' ' 39' ' ' CYS . 12.0 t -122.2 167.66 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m -110.72 -24.28 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 42' ' ' CYS . 76.9 mt -88.42 -53.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 p -112.64 5.39 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 41.85 29.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.84 172.27 20.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.88 144.35 56.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.683 HD13 HG21 ' A' ' 37' ' ' THR . 6.0 mt -89.22 126.01 35.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.43 -53.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 12.2 t0 -91.4 -29.63 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.08 54.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.3 m -78.04 102.05 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 31' ' ' ILE . 90.3 m -92.04 154.25 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 32' ' ' THR . 63.2 mt -110.49 83.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.9 m -31.84 -40.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' ILE . 4.1 tp10 -45.25 -60.64 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.8 21.12 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 mp 41.38 37.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 41.3 m170 -101.38 137.18 40.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.683 HG21 HD13 ' A' ' 25' ' ' LEU . 23.5 m -97.35 142.54 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 54.8 m-85 -153.55 117.17 4.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.655 ' SG ' HD23 ' A' ' 25' ' ' LEU . 9.7 m -37.12 132.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -37.21 -61.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.9 p -56.39 -45.92 80.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.618 ' HB3' HD12 ' A' ' 20' ' ' ILE . 24.8 m -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.555 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 10.3 tp -51.61 -26.84 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 40' ' ' LYS . 79.8 t -85.42 -29.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -80.73 -34.54 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.483 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 45.3 t60 -69.76 -29.25 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 43' ' ' ILE . 6.4 m-85 -72.65 -26.52 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -65.7 -40.02 91.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -94.81 -43.07 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 t -131.22 117.41 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -79.55 40.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -137.29 179.65 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.5 t -97.1 126.93 40.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 53.8 Cg_endo -69.73 11.69 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.8 tptt -115.15 -70.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.504 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.5 p -93.51 -5.4 49.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 9.4 m120 61.82 51.77 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.504 HG23 ' SG ' ' A' ' 56' ' ' CYS . 22.6 pt -115.92 134.69 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 59' ' ' VAL . 3.6 p -68.84 108.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.889 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.888 0.375 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 14.2 t -112.28 166.6 11.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -103.3 -31.74 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 42' ' ' CYS . 56.6 mt -84.56 -68.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -88.64 -14.43 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.476 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 3.5 mppt? 54.25 42.16 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -132.82 151.31 19.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.4 m-85 -33.45 138.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.955 HD13 HG21 ' A' ' 37' ' ' THR . 9.6 mt -83.82 130.09 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.7 mp -89.29 -48.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.8 t0 -91.91 -42.57 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 73.72 47.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.7 m -80.46 108.8 14.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 t -101.28 137.07 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.9 mt -89.05 90.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.67 ' O ' HD22 ' A' ' 35' ' ' LEU . 85.7 m -30.73 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' ILE . 2.5 tp10 -47.09 -51.51 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.55 2.49 8.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD22 ' O ' ' A' ' 32' ' ' THR . 3.8 mm? 57.02 47.95 16.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 23.4 m170 -113.74 120.38 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.955 HG21 HD13 ' A' ' 25' ' ' LEU . 15.5 m -77.54 141.68 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 66.3 m-85 -153.13 120.3 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' SG ' HD23 ' A' ' 25' ' ' LEU . 10.2 m -38.6 131.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 44' ' ' VAL . 13.8 tptm -39.86 -48.78 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 t -68.76 -40.37 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.565 ' HB3' HD12 ' A' ' 20' ' ' ILE . 38.0 m -61.73 -59.24 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.5 tp -56.37 -52.04 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 40' ' ' LYS . 89.2 t -56.12 -42.2 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -75.03 -29.99 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 57.7 t60 -68.55 -36.08 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -69.73 -21.61 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -78.37 -42.39 30.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -83.68 -43.56 15.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -130.58 139.35 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.41 40.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.542 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 46.3 mtt180 -147.14 170.68 16.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 45.8 t -84.97 132.44 45.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 54.1 Cg_endo -69.73 11.47 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.411 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 12.8 mmmt -119.58 -66.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.524 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.9 p -97.31 -4.65 38.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 34.7 m120 55.43 52.39 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.524 HG23 ' SG ' ' A' ' 56' ' ' CYS . 46.4 pt -105.76 134.97 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.08 95.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -94.79 167.37 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -102.9 -28.93 11.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 54' ' ' PRO . 16.6 mt -90.63 -60.12 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.8 p -84.01 -21.02 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 60.53 47.64 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -152.66 159.34 28.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 13.2 m-85 -33.97 126.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 37' ' ' THR . 4.9 mt -69.77 102.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.76 -53.2 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 28' ' ' ALA . 17.0 m-20 -132.54 52.75 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB1' HG23 ' A' ' 37' ' ' THR . . . -30.84 138.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . 95.6 m -125.42 96.17 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -72.36 114.99 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 33' ' ' GLU . 2.8 mt -72.42 157.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 32' ' ' THR . 19.1 m -100.06 -1.84 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.556 ' H ' HG22 ' A' ' 31' ' ' ILE . 18.3 tt0 -96.16 -70.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -92.28 -10.97 36.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 63.06 54.05 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -111.18 157.75 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.687 HG23 ' HB1' ' A' ' 28' ' ' ALA . 26.8 m -102.1 131.26 48.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 38.9 m-85 -153.05 129.49 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.536 ' O ' HG22 ' A' ' 43' ' ' ILE . 14.5 m -46.75 163.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 44' ' ' VAL . 19.5 tptm -67.63 -50.52 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.7 p -66.46 -47.23 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.2 m -55.24 -66.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 44' ' ' VAL . 10.9 tp -50.45 -47.97 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 40' ' ' LYS . 72.4 t -62.61 -33.49 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -78.99 -24.01 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 19.0 t60 -79.68 -35.37 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.97 -26.52 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.24 -47.22 85.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.81 -44.38 8.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' HIS . 7.8 m -127.01 108.02 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.27 -19.97 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 60.9 mtm180 -73.33 178.85 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.4 t -98.93 132.01 24.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.631 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.5 Cg_endo -69.81 11.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' CYS . 6.0 ttmt -118.88 -69.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 p -87.99 -12.14 45.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.1 m120 62.66 49.75 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.459 HD12 ' OE1' ' A' ' 33' ' ' GLU . 14.8 pt -116.12 132.79 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 59' ' ' VAL . 3.6 p -65.24 83.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -112.6 168.2 9.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -108.55 -24.13 11.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.43 -54.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -99.11 -13.73 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 55.78 42.02 29.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.35 155.19 23.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -39.37 140.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.907 HD23 ' SG ' ' A' ' 39' ' ' CYS . 7.9 mt -79.75 168.6 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.59 -58.56 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 9.1 t70 -91.47 -34.68 14.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.48 54.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 m -79.46 112.43 16.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.5 m -111.78 148.4 33.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.727 HD12 ' SG ' ' A' ' 34' ' ' CYS . 2.5 mt -86.41 158.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 32' ' ' THR . 41.1 m -98.0 -7.87 29.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE2' HD12 ' A' ' 58' ' ' ILE . 21.2 tt0 -89.62 -73.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.727 ' SG ' HD12 ' A' ' 31' ' ' ILE . 1.7 p -85.15 -15.68 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 62.91 54.49 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.609 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 25.5 m170 -111.73 133.07 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.5 m -83.64 133.71 34.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 60.3 m-85 -152.98 126.12 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.907 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.0 m -43.7 146.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -50.91 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -49.67 -43.35 47.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -58.11 -66.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 40' ' ' LYS . 10.2 tp -51.39 -31.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' LYS . 81.4 t -79.96 -31.99 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -77.19 -35.0 56.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 70.1 t60 -75.12 -31.82 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.9 m-85 -73.47 -22.05 60.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.36 -36.59 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -96.14 -42.32 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -126.76 115.79 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.09 45.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -148.42 167.1 26.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 14.0 t -79.9 127.71 76.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.743 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.71 7.56 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -113.49 -70.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 p -85.6 -24.51 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.9 t-20 72.87 54.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.492 HD12 ' OE2' ' A' ' 33' ' ' GLU . 33.6 pt -119.81 146.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.59 109.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 58' ' ' ILE . 95.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.804 0.335 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -97.36 168.06 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -103.19 -36.83 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.902 HD11 ' HG3' ' A' ' 54' ' ' PRO . 52.9 mt -81.82 -62.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -80.7 -23.17 39.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 60.25 45.73 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.42 169.61 26.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -43.74 131.84 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.62 136.24 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.29 -65.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 2.1 m-20 -93.05 -28.12 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 52.19 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.4 m -80.85 96.61 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.0 m -90.31 140.82 29.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.6 HD12 ' SG ' ' A' ' 34' ' ' CYS . 3.9 mt -82.76 152.29 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' THR . 64.3 m -96.71 -12.45 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.576 ' H ' HG22 ' A' ' 31' ' ' ILE . 4.8 tp10 -81.33 -71.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 31' ' ' ILE . 26.6 p -85.31 -10.33 56.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mm? 62.78 53.14 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 55' ' ' LYS . 48.6 m170 -117.62 145.83 44.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -91.36 131.32 36.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -153.18 129.27 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' HG22 ' A' ' 43' ' ' ILE . 23.0 m -48.84 179.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.604 ' NZ ' HG21 ' A' ' 44' ' ' VAL . 22.7 tptp -80.25 -63.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.499 ' HA ' HG12 ' A' ' 44' ' ' VAL . 48.4 t -60.2 -19.8 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.7 m -78.54 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.596 HG13 ' CE2' ' A' ' 47' ' ' PHE . 10.5 tp -69.32 -39.06 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG21 ' NZ ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -67.55 -28.88 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 41' ' ' SER . 27.5 ttt180 -88.45 -48.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 30.8 t60 -48.48 -26.86 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CE2' HG13 ' A' ' 43' ' ' ILE . 9.6 m-85 -74.88 -31.64 61.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -62.52 -36.34 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -96.74 -44.51 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.6 t -128.99 115.81 18.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -77.36 42.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.485 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 67.5 mtt180 -144.11 177.02 8.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 23.2 t -95.12 130.37 32.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.902 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.3 Cg_endo -69.75 7.99 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HB3' ' ND1' ' A' ' 36' ' ' HIS . 4.7 ttmt -116.19 -68.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.413 ' HG ' ' CB ' ' A' ' 34' ' ' CYS . 4.6 p -89.68 -19.85 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 47.6 t30 66.8 54.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.463 HG13 HG23 ' A' ' 60' ' ' VAL . 35.0 pt -116.08 137.85 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.41 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.463 HG23 HG13 ' A' ' 58' ' ' ILE . 97.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -114.37 168.35 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 t -103.81 -35.44 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' A' ' 42' ' ' CYS . 17.3 mt -82.56 -64.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -81.84 -22.33 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 61.57 41.36 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -136.79 156.29 23.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 14.8 m-85 -33.98 137.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 37' ' ' THR . 6.1 mt -81.96 131.49 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.35 -59.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 36.6 t0 -77.17 -46.68 22.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.98 48.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.9 m -79.71 102.46 9.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -96.49 141.71 29.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 47.2 mt -100.41 89.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' ILE . 98.6 m -31.79 -40.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HG2' HD12 ' A' ' 58' ' ' ILE . 5.5 tp10 -41.84 -56.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -118.36 15.01 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 44.25 44.85 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.657 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 34.4 m170 -110.05 129.74 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.664 HG21 HD13 ' A' ' 25' ' ' LEU . 20.3 m -84.84 141.4 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 61.1 m-85 -152.87 135.35 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.744 ' O ' HG22 ' A' ' 43' ' ' ILE . 10.6 m -61.5 140.21 58.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.0 tptm -47.05 -60.22 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -57.15 -43.66 82.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.447 ' HB3' HD12 ' A' ' 20' ' ' ILE . 90.0 m -61.6 -67.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 39' ' ' CYS . 7.2 tp -52.48 -44.95 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' LYS . 43.5 t -60.09 -45.22 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -72.78 -28.83 62.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.559 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 84.9 t60 -67.92 -37.56 81.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' SER . 5.6 m-85 -66.69 -26.42 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.44 -39.6 91.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -91.22 -44.47 9.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 6.3 t -136.92 119.54 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -76.55 44.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -137.4 177.47 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.8 t -91.19 129.93 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.75 4.33 2.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -109.91 -71.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.8 p -87.89 -25.21 23.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.1 m-20 73.36 51.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.6 HD12 ' HG2' ' A' ' 33' ' ' GLU . 47.8 pt -105.82 138.69 29.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.16 91.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 48.7 t -103.06 164.77 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -92.99 -31.67 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.24 -62.47 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -71.71 -30.99 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 60.0 mmtt 63.01 47.11 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -159.79 159.5 30.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' GLY . 30.8 m-85 -34.89 143.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -86.37 162.96 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.492 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.4 mp -114.99 -55.75 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 8.2 t0 -96.89 -35.96 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.71 54.63 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -80.04 99.6 7.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 m -92.82 132.1 37.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.637 HG22 ' N ' ' A' ' 32' ' ' THR . 27.3 mt -70.46 168.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.637 ' N ' HG22 ' A' ' 31' ' ' ILE . 32.9 m -108.6 -38.23 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' CG ' HD12 ' A' ' 58' ' ' ILE . 11.8 tt0 -59.24 -72.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.9 p -86.33 -14.41 43.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 12.5 mt 64.03 53.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' HB2' HD12 ' A' ' 31' ' ' ILE . 37.6 m170 -109.22 164.78 12.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.3 m -111.14 129.62 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -153.71 131.12 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m -48.92 122.97 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 11.9 tmtt? -39.03 -27.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' CYS . 4.0 m -79.36 -67.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.8 tp -56.02 -46.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.554 ' N ' HG23 ' A' ' 43' ' ' ILE . 30.0 t -72.19 -32.15 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' C ' ' HD2' ' A' ' 45' ' ' ARG . 4.9 tmm_? -69.08 -32.26 71.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -79.39 -30.87 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 60' ' ' VAL . 8.1 m-85 -74.77 -26.17 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.54 -37.63 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -107.5 -45.1 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 55.0 m -105.85 105.13 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -74.47 47.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -155.05 157.85 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.0 t -74.94 127.63 86.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -112.79 -67.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.506 ' SG ' HG23 ' A' ' 58' ' ' ILE . 5.8 p -96.4 -16.17 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 8.5 m120 69.27 51.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.611 HG13 HG23 ' A' ' 60' ' ' VAL . 38.2 pt -110.38 152.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.57 100.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG23 HG13 ' A' ' 58' ' ' ILE . 86.5 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.85 0.357 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 38.5 t -100.7 165.63 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 m -106.15 -28.98 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mt -80.58 -63.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -87.06 -19.18 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 29.1 mmmt 62.85 39.45 10.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.22 -132.19 3.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -111.58 135.34 52.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 0.0 110.912 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.633 HD23 ' SG ' ' A' ' 39' ' ' CYS . 3.1 mt -78.36 112.78 15.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.29 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 30.2 t70 -79.71 -36.59 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 72.4 54.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 38' ' ' PHE . 7.1 t -78.83 151.27 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.5 m -150.81 133.88 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 mt -100.14 88.01 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 31' ' ' ILE . 33.2 m -31.37 -43.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' THR . 8.4 tt0 -34.49 -50.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -117.02 -8.59 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 35' ' ' LEU . 10.2 mt 64.05 44.22 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.602 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 39.6 m170 -108.49 133.46 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 9.2 m -87.57 144.78 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 29' ' ' THR . 57.3 m-85 -152.54 163.21 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.633 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.4 m -91.04 158.24 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 44' ' ' VAL . 20.9 tptm -55.48 -63.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 m -57.0 -34.88 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.0 m -65.35 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -59.61 -27.07 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 40' ' ' LYS . 75.5 t -82.98 -33.48 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.57 -31.77 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.569 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 75.1 t60 -76.28 -37.28 57.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.4 m-85 -69.42 -18.08 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' A' ' 44' ' ' VAL . 3.3 m-85 -72.39 -44.62 62.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -95.58 -44.25 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -118.75 117.54 29.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -84.58 43.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 26.4 mtt180 -147.11 157.24 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 19.5 t -67.49 124.13 88.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.79 7.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -108.63 -70.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.9 -14.08 37.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 12.4 m120 71.85 50.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 pt -117.08 133.55 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.51 ' N ' ' HG2' ' A' ' 52' ' ' ARG . 7.2 p -75.25 115.87 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 t -113.72 167.45 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.05 -24.82 13.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 42' ' ' CYS . 28.9 mt -93.74 -64.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.34 -15.49 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt 56.33 42.8 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.66 161.22 25.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -45.83 145.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.834 HD23 ' SG ' ' A' ' 39' ' ' CYS . 4.8 mt -87.8 147.73 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.9 mp -105.55 -54.13 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 1.4 t70 -91.33 -33.57 15.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 67.97 54.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.2 m -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.0 m -110.41 135.74 50.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 32' ' ' THR . 20.4 mt -73.03 168.91 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 31' ' ' ILE . 89.0 m -108.69 -39.02 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' ' 58' ' ' ILE . 3.0 tp10 -54.91 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.8 p -87.71 -22.97 24.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tp 72.53 52.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 36.9 m170 -111.98 141.59 45.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.9 m -87.36 131.12 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -153.66 136.45 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.834 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.8 m -55.19 126.35 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -38.21 -50.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -62.63 -46.67 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.502 ' HB3' HD12 ' A' ' 20' ' ' ILE . 20.0 m -58.51 -62.76 1.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.1 tp -48.52 -39.21 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -75.37 -33.26 27.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 45' ' ' ARG . 6.4 ttp85 -76.12 -25.5 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -79.08 -28.05 43.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 43' ' ' ILE . 11.0 m-85 -70.31 -25.77 63.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -65.23 -39.78 93.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -92.51 -43.05 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 48.1 t -132.91 116.87 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.02 43.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -142.8 -178.35 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.4 t -95.41 132.38 27.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.66 5.4 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.394 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.4 ttmt -115.78 -70.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.2 p -87.18 -26.78 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.5 m-20 75.07 54.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' ' 33' ' ' GLU . 32.2 pt -116.25 134.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.63 94.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 58' ' ' ILE . 69.4 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' CB ' ' HG ' ' A' ' 21' ' ' CYS . 10.2 t -108.53 168.28 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -102.79 -33.13 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.727 HD11 ' HG3' ' A' ' 54' ' ' PRO . 22.6 mt -87.39 -59.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HG ' ' CB ' ' A' ' 18' ' ' CYS . 19.4 p -80.57 -19.44 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 58.61 47.69 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -150.25 -152.58 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -62.75 127.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 mt -67.47 85.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 8.3 mt -70.78 126.72 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.1 t0 42.56 41.19 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -24.92 130.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.0 m -130.49 109.5 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 m -88.08 153.12 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.493 HD12 ' SG ' ' A' ' 34' ' ' CYS . 69.9 mt -95.08 145.27 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 32' ' ' THR . 5.8 m -86.46 27.83 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 31' ' ' ILE . 4.5 tm-20 -135.01 -68.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.493 ' SG ' HD12 ' A' ' 31' ' ' ILE . 1.7 p -89.11 -9.05 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt 58.85 47.12 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 31.3 m170 -104.14 125.68 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.585 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 86.0 m -81.6 126.74 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 37' ' ' THR . 28.8 m-85 -151.47 127.04 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 43' ' ' ILE . 8.3 m -34.45 142.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 27' ' ' ASP . 8.6 tmtt? -61.15 -34.67 75.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 m -76.77 -34.72 57.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.3 m -68.83 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 47' ' ' PHE . 7.6 tp -48.93 -45.42 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' N ' HG23 ' A' ' 43' ' ' ILE . 39.8 t -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -65.42 -38.92 91.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -71.72 -29.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.0 m-85 -71.0 -24.74 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -70.1 -40.06 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.26 -43.59 10.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.9 t -127.02 118.23 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -77.23 44.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -145.83 171.41 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 40.2 t -84.05 129.57 58.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.727 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.5 Cg_endo -69.77 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -116.23 -68.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 p -92.79 -14.55 27.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.8 m120 63.27 55.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.459 HG13 HG23 ' A' ' 60' ' ' VAL . 45.4 pt -111.84 154.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -77.33 98.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 58' ' ' ILE . 95.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.357 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -109.32 166.42 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.6 m -105.17 -30.95 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.2 mt -83.72 -64.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.04 -20.47 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 59.41 47.28 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.09 -155.95 9.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -91.44 125.36 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.53 HD23 ' SG ' ' A' ' 39' ' ' CYS . 13.9 mt -67.26 85.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.0 tp -60.87 -38.87 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.521 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -104.57 -36.32 7.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 55.03 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.8 m -85.33 124.04 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 36' ' ' HIS . 67.3 m -113.26 149.94 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.751 HG22 ' H ' ' A' ' 33' ' ' GLU . 17.0 mt -78.85 148.98 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 32' ' ' THR . 56.9 m -92.76 2.63 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.751 ' H ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -102.8 -72.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.704 ' SG ' HD12 ' A' ' 31' ' ' ILE . 17.6 p -84.37 -12.29 54.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 31' ' ' ILE . 3.5 mm? 62.79 51.8 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.504 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 46.1 m170 -110.97 140.63 45.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.4 128.2 34.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 31.5 m-85 -152.97 117.56 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.53 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.6 m -37.81 131.96 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 11.1 tmtt? -43.47 -52.1 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.0 m -61.26 -45.15 95.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.11 -66.34 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -46.67 -41.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 t -71.46 -35.05 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.455 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 24.2 ttt180 -75.03 -27.87 60.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.46 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 61.1 t60 -81.28 -26.49 35.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 60' ' ' VAL . 4.5 m-85 -75.24 -27.05 59.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.51 -36.68 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 16.4 m-85 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -125.04 112.18 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -75.68 47.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 28.7 mtt85 -147.75 177.65 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 17.5 t -95.24 125.79 48.78 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.78 10.45 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HD3' ' CG ' ' A' ' 36' ' ' HIS . 1.8 tttt -114.56 -70.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.406 ' SG ' HG23 ' A' ' 58' ' ' ILE . 4.9 p -90.72 -7.12 53.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.9 m-20 62.69 52.92 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG23 ' SG ' ' A' ' 56' ' ' CYS . 26.4 pt -117.73 137.86 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.5 p -69.47 110.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 69.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.815 0.341 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 t -107.4 166.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -107.82 -26.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 38' ' ' PHE . 4.4 mp -83.25 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -92.54 -19.49 21.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 61.52 48.42 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -150.16 152.75 24.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m-85 -34.52 131.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.939 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.677 HD23 ' SG ' ' A' ' 39' ' ' CYS . 10.9 mt -65.57 158.4 27.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.1 mp -111.68 -69.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.5 m-20 -83.42 -33.83 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 73.5 51.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.6 m -80.81 98.41 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.453 HG23 ' C ' ' A' ' 36' ' ' HIS . 87.2 m -99.53 137.48 37.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.649 HG22 ' H ' ' A' ' 33' ' ' GLU . 7.4 mt -76.66 158.32 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 31' ' ' ILE . 32.7 m -101.15 -19.62 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.649 ' H ' HG22 ' A' ' 31' ' ' ILE . 14.4 tt0 -72.26 -71.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.9 p -86.98 -10.35 53.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 5.9 mp 62.36 54.41 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.453 ' C ' HG23 ' A' ' 30' ' ' THR . 36.1 m170 -117.85 135.74 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.3 m -85.94 138.02 32.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 40.6 m-85 -153.01 151.0 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.677 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.2 m -71.08 128.9 37.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -40.21 -48.9 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -65.07 -49.84 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.7 m -57.37 -65.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.9 tp -42.0 -45.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' N ' HG23 ' A' ' 43' ' ' ILE . 42.1 t -71.48 -34.8 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.5 ttp85 -72.21 -27.08 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 29.0 t60 -81.53 -30.32 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.499 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.6 m-85 -70.59 -24.96 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.31 -44.76 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -92.37 -44.27 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 5.8 t -124.22 111.95 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -76.02 44.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' NH1' ' CG2' ' A' ' 59' ' ' VAL . 42.9 mtt-85 -145.72 172.36 13.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 21.5 t -84.59 130.19 54.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.541 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 53.5 Cg_endo -69.78 8.15 0.84 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.736 2.29 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.1 tptt -115.8 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.405 ' SG ' HG12 ' A' ' 58' ' ' ILE . 3.3 p -87.75 -17.71 31.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 11.9 m120 64.73 54.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG12 ' SG ' ' A' ' 56' ' ' CYS . 46.0 pt -113.71 154.79 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.477 ' CG2' ' NH1' ' A' ' 52' ' ' ARG . 60.6 t -77.68 94.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 p -92.17 -61.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.83 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p 44.26 42.1 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.06 123.44 6.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.4 m -148.46 129.67 14.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.7 p -171.1 166.18 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.69 68.79 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.771 ' C ' HD12 ' A' ' 9' ' ' LEU . 91.2 m-20 -139.97 122.21 15.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.771 HD12 ' C ' ' A' ' 8' ' ' ASN . 7.5 mp -135.08 131.09 36.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.9 m -147.16 173.53 12.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -123.36 101.74 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.8 mt -151.47 172.42 16.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.1 p -45.68 121.29 5.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 3.36 2.85 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.295 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -76.13 -29.32 57.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' HD11 ' A' ' 25' ' ' LEU . 82.0 mt -38.87 -35.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.0 mt -53.57 159.3 1.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.5 132.58 51.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 1.7 m -63.46 -19.97 65.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 42' ' ' CYS . 66.3 mt -99.43 -65.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.0 m -62.77 -27.43 69.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp 62.2 25.1 15.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.74 -126.88 1.85 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -90.88 163.72 14.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 110.95 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.605 HD11 ' O ' ' A' ' 16' ' ' ILE . 4.8 mt -104.64 166.92 10.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.5 mp -120.35 -61.99 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 16.2 t0 -85.67 -42.14 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.74 47.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.6 m -79.78 114.35 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.5 m -95.22 137.37 34.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 33' ' ' GLU . 23.7 mt -76.28 145.66 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 32' ' ' THR . 87.0 m -93.33 11.12 29.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.741 ' H ' HG22 ' A' ' 31' ' ' ILE . 35.1 tt0 -109.3 -68.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.17 -2.47 49.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.1 mm? 57.31 53.76 7.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.59 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 27.8 m170 -112.22 148.41 34.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.7 m -90.16 128.49 36.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 38.4 m-85 -152.58 133.43 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.24 136.45 56.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 tptm -40.54 -55.45 2.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.3 m -61.66 -38.72 88.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.576 ' HB3' HD12 ' A' ' 20' ' ' ILE . 3.5 m -62.4 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -57.46 -39.69 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 40' ' ' LYS . 54.8 t -66.79 -40.62 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -69.04 -42.18 76.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 11.1 t60 -65.64 -28.92 69.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.4 m-85 -76.37 -15.49 59.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -76.93 -37.89 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -95.94 -43.63 7.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.978 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -128.05 126.49 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.84 33.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 63.4 mtm180 -127.41 175.11 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 43.5 t -94.73 126.61 46.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.77 10.0 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.59 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -112.86 -67.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.578 ' SG ' HG23 ' A' ' 58' ' ' ILE . 5.5 p -93.83 -16.39 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.457 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 0.9 OUTLIER 73.96 46.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.578 HG23 ' SG ' ' A' ' 56' ' ' CYS . 21.9 pt -110.28 134.66 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 59' ' ' VAL . 3.0 p -72.52 87.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t -69.09 105.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -97.36 56.82 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -105.43 -61.33 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 p -44.67 -62.11 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -167.02 133.21 1.81 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.623 0.725 . . . . 0.0 110.916 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -3.81 12.76 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 7.9 tp -110.56 140.0 45.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.4 t -70.78 -48.81 52.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.6 151.58 23.57 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -169.2 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.6 p -94.72 40.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.7 t -86.61 113.12 22.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.509 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -168.89 159.64 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.935 0.398 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -174.54 166.75 3.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.18 170.28 17.12 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -153.93 122.98 6.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -95.84 -57.34 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.62 49.74 60.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.46 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -94.77 87.56 5.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -133.14 99.4 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.3 p -120.48 41.34 3.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -98.05 151.03 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 12' ' ' LEU . 3.2 mp -116.33 53.56 0.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.8 p -56.15 152.56 21.74 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.556 0.693 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.55 14.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' ILE . 37.1 m-85 -83.11 -35.36 25.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.58 ' H ' HD12 ' A' ' 16' ' ' ILE . 4.4 mp -36.36 -36.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.4 mt -51.42 163.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.3 t -97.0 170.23 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -110.2 -26.11 9.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.955 HD11 ' HG3' ' A' ' 54' ' ' PRO . 86.1 mt -90.62 -49.62 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LYS . 12.5 p -108.04 4.23 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 37.8 36.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.91 164.85 20.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -46.04 129.41 9.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 21.2 mt -65.51 86.83 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.8 tp -58.18 -45.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 26' ' ' ILE . 1.5 m-20 -132.0 47.89 2.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.625 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . . . -31.32 137.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' PHE . 27.8 m -131.65 95.95 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.0 m -61.56 148.44 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' HIS . 65.1 mt -125.85 83.16 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 31' ' ' ILE . 96.8 m -31.01 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HG2' HD12 ' A' ' 58' ' ' ILE . 5.8 tp10 -47.18 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -117.88 26.76 9.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 40.32 33.27 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 46.7 m170 -104.34 142.43 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -115.07 145.26 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 20.0 m-85 -152.08 147.62 26.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.568 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.5 m -54.35 145.15 18.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -52.6 -58.21 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -56.72 -45.63 81.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HB3' HD12 ' A' ' 20' ' ' ILE . 44.0 m -58.75 -66.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.633 HG23 ' N ' ' A' ' 44' ' ' VAL . 11.3 tp -53.12 -50.92 43.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.633 ' N ' HG23 ' A' ' 43' ' ' ILE . 22.5 t -55.65 -41.83 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -70.51 -34.17 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 22.2 t60 -67.9 -36.98 81.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -71.13 -28.45 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -59.8 -36.74 77.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -102.65 -45.45 5.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' HIS . 1.7 m -130.53 118.62 21.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 43.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.596 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 36.9 mtp180 -129.62 173.43 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -95.73 130.16 32.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.955 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.78 8.39 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -113.84 -67.1 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 58' ' ' ILE . 7.1 p -93.44 -21.28 19.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 16.8 m-80 71.39 54.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.6 HD12 ' HG2' ' A' ' 33' ' ' GLU . 43.3 pt -111.69 137.85 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.5 t -69.91 79.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.571 HG23 HG13 ' A' ' 58' ' ' ILE . 61.0 t -72.72 89.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -96.77 84.62 3.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.75 165.54 13.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.0 p -82.78 95.48 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.71 126.41 87.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 84.24 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.1 tp -56.64 99.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -115.53 89.36 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' HA3' ' HD2' ' A' ' 69' ' ' PRO . . . 177.83 -142.94 5.85 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.485 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.421 ' HD2' ' HA3' ' A' ' 68' ' ' GLY . 53.6 Cg_endo -69.79 153.66 68.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.6 m -107.42 -50.9 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.1 m -84.97 42.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.52 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -101.26 -53.28 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 m -138.21 127.99 25.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.21 153.81 8.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -173.1 176.77 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -137.14 153.0 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.78 64.0 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -106.26 132.76 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.43 -51.26 2.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 t -115.16 94.19 4.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -113.34 42.38 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.6 mt 57.0 42.74 25.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -101.32 142.11 23.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 173.27 11.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.268 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 22.1 t80 -88.73 0.81 56.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.471 HG22 ' O ' ' A' ' 16' ' ' ILE . 27.9 mt -66.5 71.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -125.68 -176.77 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.66 167.29 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -109.95 -23.31 11.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.496 HD11 ' HG3' ' A' ' 54' ' ' PRO . 5.3 mp -89.6 -53.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.0 p -101.94 -14.69 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 58.68 38.39 25.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -126.47 -172.36 13.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -68.56 135.89 52.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.961 0.41 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.854 HD23 ' SG ' ' A' ' 39' ' ' CYS . 8.8 mt -82.11 130.09 34.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.23 -48.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 10.0 t70 -88.71 -42.4 11.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.63 54.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 38' ' ' PHE . 7.4 m -80.83 110.03 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.2 m -99.78 149.12 23.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' GLU . 12.0 mt -105.39 92.08 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.704 ' O ' HD22 ' A' ' 35' ' ' LEU . 27.2 m -32.82 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 8.7 tt0 -49.96 -66.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -108.25 19.12 20.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.704 HD22 ' O ' ' A' ' 32' ' ' THR . 4.3 mm? 38.27 47.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 39.1 m170 -110.73 130.01 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 10.0 m -83.33 135.81 34.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 50.5 m-85 -152.59 130.08 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.854 ' SG ' HD23 ' A' ' 25' ' ' LEU . 9.1 m -47.35 121.25 3.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER -41.73 -30.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 p -82.03 -33.72 29.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' CYS . 50.2 m -79.22 -66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.642 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -38.73 -32.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.11 -41.44 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' CYS . 58.9 mtt-85 -65.76 -43.3 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -57.98 -25.7 61.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CE2' HD12 ' A' ' 43' ' ' ILE . 5.5 m-85 -75.29 -27.23 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -67.81 -31.75 71.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -101.47 -43.45 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -127.23 115.83 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.33 49.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -151.27 -176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 54.1 t -98.41 135.67 21.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.7 Cg_endo -69.8 9.39 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -121.96 -65.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.58 ' SG ' HG23 ' A' ' 58' ' ' ILE . 11.5 p -98.73 3.33 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 13.0 p30 44.41 53.25 7.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.58 HG23 ' SG ' ' A' ' 56' ' ' CYS . 34.2 pt -104.92 133.15 49.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.99 88.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 66.4 t -76.6 78.68 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -149.92 140.63 22.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -120.94 -56.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.8 m -124.29 -56.81 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -155.04 150.74 21.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.581 0.705 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.77 119.05 6.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.71 2.274 . . . . 0.0 112.366 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' PRO . 4.3 mm? -34.83 144.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.1 p -142.51 136.59 29.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.18 143.95 4.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -179.02 2.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.1 p -118.61 125.58 50.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.7 p -144.48 178.16 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.49 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -111.92 176.11 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -122.13 -60.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.66 -52.32 0.83 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.518 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.1 p 38.4 43.63 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 t -66.05 150.52 48.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.96 160.92 33.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -137.08 108.63 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 mt -141.91 178.49 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -87.89 145.26 26.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -121.44 42.15 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.45 92.18 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.7 p -121.09 133.48 24.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -179.05 2.64 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.742 2.295 . . . . 0.0 112.35 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -87.33 40.2 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm -95.1 -28.81 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.9 mt -77.32 168.49 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.7 t -110.22 165.46 11.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 t -97.52 -26.49 14.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.731 HD11 ' HG3' ' A' ' 54' ' ' PRO . 69.5 mt -92.22 -56.51 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -80.94 -21.09 40.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.85 31.83 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.33 -154.55 6.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -64.83 146.9 54.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.9 mt -91.9 124.66 36.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -86.75 -65.14 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 28' ' ' ALA . 66.8 m-20 -114.97 52.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.792 ' HB1' ' CG2' ' A' ' 37' ' ' THR . . . -27.29 135.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' PHE . 15.9 m -127.52 96.59 4.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.6 m -66.72 135.39 53.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' GLU . 44.0 mt -116.49 86.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.174 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.557 ' O ' HD22 ' A' ' 35' ' ' LEU . 95.4 m -32.09 -35.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.748 ' HG3' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -49.43 -69.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -103.89 11.11 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 32' ' ' THR . 2.9 mm? 53.17 25.06 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 43.4 m170 -90.16 165.56 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.792 ' CG2' ' HB1' ' A' ' 28' ' ' ALA . 22.2 m -130.62 139.19 50.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 15.9 m-85 -152.59 146.94 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.6 m -54.51 142.02 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HE2' HG21 ' A' ' 44' ' ' VAL . 20.3 tptm -64.55 -11.57 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.1 p -94.89 -42.24 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' HB2' HG21 ' A' ' 20' ' ' ILE . 21.8 p -80.22 -47.15 15.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.575 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -57.93 -39.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 43' ' ' ILE . 48.1 t -76.32 -36.0 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -76.59 -22.86 53.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 70.2 t60 -71.27 -31.45 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' A' ' 43' ' ' ILE . 20.5 m-85 -72.29 -24.1 61.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -63.42 -44.22 95.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -98.72 -40.45 8.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -128.13 104.19 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.65 50.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -156.15 137.58 13.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 49.0 t -53.31 127.71 48.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.731 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.0 Cg_endo -69.73 6.56 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.523 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.0 ttmt -108.52 -69.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.2 p -89.94 -21.96 22.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.5 t-20 74.97 51.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.764 HG13 HG23 ' A' ' 60' ' ' VAL . 35.3 pt -109.07 143.58 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.5 t -68.94 89.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 58' ' ' ILE . 96.5 t -96.69 129.99 45.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' GLN . 10.6 t60 -100.39 -66.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 61' ' ' HIS . 11.6 tt0 -35.25 106.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -80.96 -7.5 59.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -164.55 150.22 8.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -91.2 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.643 2.229 . . . . 0.0 112.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.4 tp -144.42 130.46 19.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.0 p -107.59 129.92 54.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.49 141.57 47.37 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.48 14.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.734 2.29 . . . . 0.0 112.319 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -106.99 138.33 43.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.5 p -56.71 163.87 1.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.508 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -171.65 137.37 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -161.11 151.91 18.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.37 109.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -154.88 156.68 36.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 p -174.98 131.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.76 64.73 0.31 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -170.24 117.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.2 pp -166.37 151.88 8.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.8 m -80.39 137.6 36.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -126.5 81.02 1.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -147.67 164.91 32.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -72.13 141.37 83.74 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.569 0.699 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 177.28 5.72 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -121.65 -73.14 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.467 HG23 HD12 ' A' ' 25' ' ' LEU . 77.3 mt -134.73 99.65 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -154.6 -179.92 8.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -113.7 167.52 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -108.4 -28.62 9.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.801 HD11 ' HG3' ' A' ' 54' ' ' PRO . 12.2 mt -87.42 -55.93 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.1 p -92.75 -20.94 20.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm 61.33 40.7 13.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.71 160.08 24.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.12 130.99 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.893 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD23 ' SG ' ' A' ' 39' ' ' CYS . 4.5 mt -74.49 114.48 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.1 mm -75.56 -67.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.7 t70 -73.83 -42.14 61.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.55 50.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -81.66 102.22 10.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 97.9 m -98.18 121.54 40.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.57 HG22 ' N ' ' A' ' 32' ' ' THR . 37.2 mt -66.97 163.03 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.155 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.57 ' N ' HG22 ' A' ' 31' ' ' ILE . 94.5 m -103.17 -35.54 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' H ' HG22 ' A' ' 31' ' ' ILE . 10.5 tt0 -51.75 -60.29 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 35' ' ' LEU . 1.1 p -112.24 29.06 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 34' ' ' CYS . 15.3 mt 28.02 50.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 34' ' ' CYS . 38.5 m170 -108.49 140.58 41.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.6 m -85.13 136.74 33.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 61.7 m-85 -152.68 141.15 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.727 ' O ' HG22 ' A' ' 43' ' ' ILE . 10.0 m -69.79 155.72 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HE3' HG21 ' A' ' 44' ' ' VAL . 32.0 tptt -66.99 -35.67 80.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -83.56 -9.04 59.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 m -99.29 -52.88 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 39' ' ' CYS . 9.3 tp -66.01 -41.24 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.479 HG21 ' HE3' ' A' ' 40' ' ' LYS . 83.9 t -67.48 -38.78 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.51 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -79.14 -34.97 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 77.5 t60 -64.45 -32.43 74.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.646 ' CZ ' HD11 ' A' ' 43' ' ' ILE . 8.0 m-85 -72.88 -25.43 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.41 -35.24 78.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 6.2 m-85 -96.62 -43.24 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.1 t -134.94 120.44 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -80.4 42.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 24.0 mtm180 -139.75 164.86 28.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.3 t -85.78 127.38 62.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.708 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.801 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.3 Cg_endo -69.74 8.33 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -110.42 -66.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.575 ' SG ' HG23 ' A' ' 58' ' ' ILE . 4.5 p -94.99 -14.1 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 t-20 70.66 43.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.575 HG23 ' SG ' ' A' ' 56' ' ' CYS . 23.8 pt -105.9 141.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.6 t -69.89 98.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG23 HG13 ' A' ' 58' ' ' ILE . 59.6 t -99.61 125.09 53.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -93.85 145.86 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -108.54 146.64 32.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.9 p -128.66 114.99 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.11 121.32 70.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.636 0.731 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.439 ' C ' HD22 ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.8 -4.15 13.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD22 ' C ' ' A' ' 65' ' ' PRO . 4.4 mm? -115.47 -54.94 2.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 t 69.02 41.39 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.22 79.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.41 69.34 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.8 m -130.93 42.1 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -42.86 155.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.513 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -163.07 127.86 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -149.48 162.38 40.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.89 70.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -132.9 136.38 46.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -159.02 166.01 32.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.65 104.7 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -149.28 115.98 5.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.4 mt -139.62 132.44 29.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -174.74 126.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -32.85 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.3 tp -175.19 143.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 p -139.62 134.27 16.13 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.624 0.726 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -171.51 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.74 62.31 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.8 mt -72.75 -42.26 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -58.4 170.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.1 t -103.41 169.13 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -97.37 -40.1 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.81 HD11 ' HG3' ' A' ' 54' ' ' PRO . 21.3 mt -84.77 -69.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.41 -18.7 63.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt 55.37 40.71 31.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -133.16 -149.77 6.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -85.83 138.0 32.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.933 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 39' ' ' CYS . 12.5 mt -76.75 145.68 38.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.8 mm -109.32 -64.53 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 21.5 t0 -84.23 -35.64 23.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 69.47 55.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 38' ' ' PHE . 1.3 t -78.56 142.39 37.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 36' ' ' HIS . 89.2 m -127.71 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 32' ' ' THR . 23.3 mt -111.76 83.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.528 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.7 m -27.18 -45.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 32' ' ' THR . 4.7 tp10 -33.37 -52.35 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 p -117.19 -8.74 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 35' ' ' LEU . 9.8 mt 64.35 50.15 2.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.866 ' O ' HG23 ' A' ' 30' ' ' THR . 20.7 m170 -109.16 178.14 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 m -126.12 138.97 53.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m-85 -153.34 164.15 38.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 25' ' ' LEU . 10.2 m -89.8 162.1 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.747 ' O ' HG23 ' A' ' 44' ' ' VAL . 56.6 tptt -59.93 -57.55 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -62.49 -40.13 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.89 -53.94 48.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.0 tp -69.35 -31.51 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 40' ' ' LYS . 41.3 t -71.99 -37.92 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -83.34 -42.44 17.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.561 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 65.6 t60 -52.96 -32.93 48.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -70.28 -24.33 63.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.93 -36.67 59.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -88.3 -43.95 11.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 t -137.98 143.09 40.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -85.0 -24.32 28.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.528 ' NH1' HG23 ' A' ' 59' ' ' VAL . 66.8 mtt-85 -71.49 177.26 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 36.2 t -88.73 136.89 30.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.684 0.754 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.81 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.3 Cg_endo -69.76 10.44 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -122.66 -70.51 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.481 ' SG ' HG23 ' A' ' 58' ' ' ILE . 7.9 p -89.39 -13.58 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 19.5 m120 62.68 53.26 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.481 HG23 ' SG ' ' A' ' 56' ' ' CYS . 32.6 pt -107.37 132.93 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.528 HG23 ' NH1' ' A' ' 52' ' ' ARG . 69.0 t -56.96 91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 58' ' ' ILE . 86.6 t -84.63 101.07 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' CD2' HG12 ' A' ' 59' ' ' VAL . 11.9 m170 -66.18 136.61 56.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -81.79 131.79 35.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.8 p -106.89 -59.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.06 126.4 27.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.12 54.57 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 67' ' ' SER . 2.9 tt -45.04 122.69 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.481 ' N ' HD23 ' A' ' 66' ' ' LEU . 88.9 p -122.59 -49.25 2.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.7 133.22 0.13 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.78 33.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.37 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.9 t -161.61 135.38 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.1 t -126.61 -52.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 p -174.52 166.25 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -134.24 156.37 48.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.51 -155.58 26.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m 63.17 41.85 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.895 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -60.56 150.89 30.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.14 106.48 2.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 10.3 t-20 -72.43 -64.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER 34.58 53.99 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.428 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 1.5 t -77.19 -66.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' OE1' ' C ' ' A' ' 10' ' ' SER . 34.4 mp0 -159.15 105.04 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 13' ' ' THR . 16.2 mt -129.93 30.45 4.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -160.71 159.71 25.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 111.116 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 80.12 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -67.17 179.74 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.5 mt -104.52 -36.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.184 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt -42.01 162.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -76.71 166.01 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -110.05 -17.73 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.444 HD11 ' HG3' ' A' ' 54' ' ' PRO . 66.9 mt -97.97 -41.19 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.5 p -112.18 2.87 16.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? 41.48 34.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.96 151.73 17.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -42.84 146.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.976 0.417 . . . . 0.0 110.93 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.34 146.95 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.0 mm -108.08 -61.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.76 -31.69 17.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 63.93 54.96 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.5 m -80.49 115.5 20.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -105.1 151.18 24.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 32' ' ' THR . 2.7 mm -77.68 169.43 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.587 ' H ' HG22 ' A' ' 31' ' ' ILE . 22.2 m -103.11 -28.76 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' CD ' ' C ' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -84.36 -67.75 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -80.83 -20.73 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mp 63.14 46.1 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 30.9 m170 -99.79 134.62 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.7 m -83.91 131.13 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -153.26 133.32 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.653 ' O ' HG22 ' A' ' 43' ' ' ILE . 8.7 m -46.48 133.26 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 44' ' ' VAL . 36.9 tptt -46.13 -46.3 17.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 52.0 m -66.41 -51.02 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.6 m -56.27 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.653 HG22 ' O ' ' A' ' 39' ' ' CYS . 8.8 tp -46.64 -43.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 40' ' ' LYS . 73.0 t -68.64 -35.52 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 41' ' ' SER . 9.0 ttt85 -69.85 -37.62 76.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.38 -27.93 65.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.551 ' CE2' HG13 ' A' ' 43' ' ' ILE . 7.5 m-85 -71.27 -25.24 62.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -66.5 -40.61 89.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -90.86 -44.05 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 1.7 m -129.19 117.8 21.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -75.0 48.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' HG2' ' C ' ' A' ' 58' ' ' ILE . 52.1 mtt-85 -148.32 179.95 7.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.5 t -93.55 132.26 30.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.8 Cg_endo -69.81 8.92 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 1.8 tptt -116.85 -64.38 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.9 p -95.13 -15.97 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 56.7 m-20 62.85 54.44 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 60' ' ' VAL . 35.6 pt -115.59 137.9 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.11 94.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 58' ' ' ILE . 58.1 t -96.3 141.76 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -44.24 136.06 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -105.11 73.85 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.6 m -137.14 140.55 41.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.06 152.61 16.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.73 135.81 31.48 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' PRO . 7.2 tp -37.79 151.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.5 t -125.37 -58.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.25 135.23 2.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -177.02 1.67 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 t 61.94 43.16 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 p -38.85 -59.39 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.492 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -172.09 155.3 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -124.08 -23.27 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.41 99.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -161.16 121.06 2.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -88.01 -58.23 2.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.47 89.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -132.42 80.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 tp -174.79 112.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.3 p -123.41 84.92 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' C ' HD22 ' A' ' 12' ' ' LEU . 59.2 mt-10 -105.71 101.32 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 11' ' ' GLU . 4.3 mm? -126.0 40.69 3.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.8 p -144.65 122.83 6.68 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.6 0.714 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.55 43.01 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.374 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -56.21 132.62 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.5 mt -126.33 -32.6 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.17 167.24 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 9.6 t -97.74 170.32 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.2 m -108.13 -27.38 10.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.407 HD11 ' HG3' ' A' ' 54' ' ' PRO . 22.7 mt -92.27 -49.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.9 p -102.55 -10.81 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 48.35 54.34 10.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -146.85 153.91 25.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.3 m-85 -35.22 139.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.741 HD23 ' SG ' ' A' ' 39' ' ' CYS . 47.8 mt -83.17 138.64 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.32 -59.91 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.095 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 28.2 t0 -82.73 -34.49 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.06 53.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 84.9 m -79.28 134.03 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.8 m -119.02 145.28 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 33' ' ' GLU . 29.4 mt -106.86 80.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.578 ' O ' HD22 ' A' ' 35' ' ' LEU . 46.2 m -33.41 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 31' ' ' ILE . 7.1 tt0 -46.08 -49.71 16.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 p -124.16 2.81 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 32' ' ' THR . 3.6 mm? 61.96 44.78 7.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.576 ' CD2' ' HD3' ' A' ' 55' ' ' LYS . 51.6 m170 -114.47 144.09 43.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.9 m -104.26 139.27 39.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' CYS . 70.7 m-85 -153.57 121.08 5.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.741 ' SG ' HD23 ' A' ' 25' ' ' LEU . 14.9 m -34.63 151.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' A' ' 44' ' ' VAL . 19.3 tptp -58.42 -57.23 13.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -58.49 -44.26 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.8 m -60.59 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 39' ' ' CYS . 11.0 tp -54.35 -42.5 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.556 HG21 ' NZ ' ' A' ' 40' ' ' LYS . 42.9 t -68.04 -33.45 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -83.73 -23.08 31.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 23.2 t60 -80.01 -33.13 39.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.9 m-85 -73.4 -27.84 61.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -61.1 -46.16 91.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -95.35 -44.0 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.8 m -119.56 105.62 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -78.17 41.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HE ' HG22 ' A' ' 59' ' ' VAL . 96.8 mtt180 -144.23 146.34 32.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.5 t -68.78 127.68 93.09 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 54.3 Cg_endo -69.72 8.17 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.73 2.287 . . . . 0.0 112.352 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.576 ' HD3' ' CD2' ' A' ' 36' ' ' HIS . 2.5 tttt -109.76 -70.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' A' ' 58' ' ' ILE . 3.9 p -89.77 -10.99 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 2.5 m-20 60.1 53.7 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 38.9 pt -108.86 152.3 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG22 ' HE ' ' A' ' 52' ' ' ARG . 61.0 t -78.78 89.9 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.88 -42.83 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -102.9 128.75 49.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -39.88 -59.11 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.9 m -39.16 134.72 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -81.22 163.06 56.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 4.67 2.05 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.4 mt -148.17 141.59 25.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 t -125.37 83.79 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.25 -169.19 15.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -28.74 24.82 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.5 m -86.55 -48.44 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 m -75.99 -61.48 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.512 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -170.14 145.37 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.894 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.2 166.52 27.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.16 145.97 8.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -170.08 149.34 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.08 170.8 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.87 -170.01 20.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -145.39 153.68 41.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -103.41 158.56 16.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -88.19 153.87 20.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -110.02 -41.59 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -152.18 105.02 3.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -146.1 153.65 49.42 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.599 0.714 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -163.83 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -84.75 43.97 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 16' ' ' ILE . 86.5 mt -111.95 67.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.9 mt -130.62 -175.64 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -122.2 167.66 12.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m -110.72 -24.28 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 42' ' ' CYS . 76.9 mt -88.42 -53.18 10.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 p -112.64 5.39 17.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt 41.85 29.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.84 172.27 20.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -62.88 144.35 56.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.905 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.683 HD13 HG21 ' A' ' 37' ' ' THR . 6.0 mt -89.22 126.01 35.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.0 mm -89.43 -53.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 12.2 t0 -91.4 -29.63 16.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 64.08 54.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.3 m -78.04 102.05 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 31' ' ' ILE . 90.3 m -92.04 154.25 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 32' ' ' THR . 63.2 mt -110.49 83.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 31' ' ' ILE . 95.9 m -31.84 -40.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' ILE . 4.1 tp10 -45.25 -60.64 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 p -114.8 21.12 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 mp 41.38 37.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 41.3 m170 -101.38 137.18 40.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.683 HG21 HD13 ' A' ' 25' ' ' LEU . 23.5 m -97.35 142.54 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 54.8 m-85 -153.55 117.17 4.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.655 ' SG ' HD23 ' A' ' 25' ' ' LEU . 9.7 m -37.12 132.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -37.21 -61.73 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.9 p -56.39 -45.92 80.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.618 ' HB3' HD12 ' A' ' 20' ' ' ILE . 24.8 m -57.08 -65.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.555 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 10.3 tp -51.61 -26.84 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 40' ' ' LYS . 79.8 t -85.42 -29.83 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -80.73 -34.54 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.483 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 45.3 t60 -69.76 -29.25 66.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 43' ' ' ILE . 6.4 m-85 -72.65 -26.52 61.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -65.7 -40.02 91.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -94.81 -43.07 8.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 t -131.22 117.41 18.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -79.55 40.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -137.29 179.65 6.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.5 t -97.1 126.93 40.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 38' ' ' PHE . 53.8 Cg_endo -69.73 11.69 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.381 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.8 tptt -115.15 -70.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.504 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.5 p -93.51 -5.4 49.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 9.4 m120 61.82 51.77 3.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.504 HG23 ' SG ' ' A' ' 56' ' ' CYS . 22.6 pt -115.92 134.69 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.624 HG22 ' CD2' ' A' ' 61' ' ' HIS . 3.6 p -68.84 108.94 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.8 t -83.29 124.43 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.624 ' CD2' HG22 ' A' ' 59' ' ' VAL . 47.8 m170 -111.59 82.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -171.32 144.55 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 45.0 p -113.45 83.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -48.52 141.17 9.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 171.86 13.73 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.0 mt -96.01 41.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -140.09 174.02 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.2 -90.41 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -177.64 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.24 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 t -97.59 151.91 19.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.7 p -108.62 165.79 11.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.497 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m 53.28 41.78 32.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -92.62 -46.17 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.39 140.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -156.35 171.13 20.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 0.0 110.839 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -172.48 174.57 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.23 131.54 3.44 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.98 112.79 0.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pp -153.76 161.53 42.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.0 m -146.66 165.72 28.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -106.26 -31.39 8.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -164.89 140.9 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.1 p -144.3 130.86 10.11 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.563 0.697 . . . . 0.0 111.197 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -179.87 3.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.398 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.49 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 45.2 p90 -89.37 40.1 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 mt -98.42 -39.46 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.3 mt -54.53 178.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 22' ' ' LYS . 14.2 t -112.28 166.6 11.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -103.3 -31.74 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.565 HD12 ' HB3' ' A' ' 42' ' ' CYS . 56.6 mt -84.56 -68.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -88.64 -14.43 37.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.476 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 3.5 mppt? 54.25 42.16 31.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -132.82 151.31 19.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 4.4 m-85 -33.45 138.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.936 0.398 . . . . 0.0 110.95 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.955 HD13 HG21 ' A' ' 37' ' ' THR . 9.6 mt -83.82 130.09 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.7 mp -89.29 -48.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 14.8 t0 -91.91 -42.57 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 73.72 47.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.7 m -80.46 108.8 14.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.4 t -101.28 137.07 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.9 mt -89.05 90.68 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.67 ' O ' HD22 ' A' ' 35' ' ' LEU . 85.7 m -30.73 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' ILE . 2.5 tp10 -47.09 -51.51 17.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -124.55 2.49 8.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD22 ' O ' ' A' ' 32' ' ' THR . 3.8 mm? 57.02 47.95 16.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 23.4 m170 -113.74 120.38 40.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.955 HG21 HD13 ' A' ' 25' ' ' LEU . 15.5 m -77.54 141.68 39.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 66.3 m-85 -153.13 120.3 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' SG ' HD23 ' A' ' 25' ' ' LEU . 10.2 m -38.6 131.09 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 44' ' ' VAL . 13.8 tptm -39.86 -48.78 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 t -68.76 -40.37 79.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.565 ' HB3' HD12 ' A' ' 20' ' ' ILE . 38.0 m -61.73 -59.24 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.5 tp -56.37 -52.04 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 40' ' ' LYS . 89.2 t -56.12 -42.2 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -75.03 -29.99 60.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 57.7 t60 -68.55 -36.08 78.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -69.73 -21.61 63.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -78.37 -42.39 30.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -83.68 -43.56 15.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.9 t -130.58 139.35 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.41 40.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.542 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 46.3 mtt180 -147.14 170.68 16.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 45.8 t -84.97 132.44 45.79 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.613 0.721 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.566 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 54.1 Cg_endo -69.73 11.47 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.411 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 12.8 mmmt -119.58 -66.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.524 ' SG ' HG23 ' A' ' 58' ' ' ILE . 6.9 p -97.31 -4.65 38.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 34.7 m120 55.43 52.39 11.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.524 HG23 ' SG ' ' A' ' 56' ' ' CYS . 46.4 pt -105.76 134.97 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.4 t -69.08 95.69 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.8 82.45 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -72.58 153.0 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -102.37 159.91 15.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 p -145.0 119.87 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -107.93 141.62 23.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 174.01 10.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.6 mt -67.76 -49.18 63.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 m -58.99 153.04 18.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -119.53 119.85 4.41 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.94 55.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.8 m -52.47 -58.21 7.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.5 m -49.95 154.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.459 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -121.54 123.72 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 p -138.86 145.46 40.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.57 168.9 32.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -151.97 161.72 42.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -125.69 -61.74 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.53 -117.77 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.532 ' C ' HD12 ' A' ' 9' ' ' LEU . 20.5 m-80 -142.79 115.4 8.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 8' ' ' ASN . 5.0 mp -149.54 146.59 27.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' GLU . 35.0 t -90.84 79.06 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' SER . 13.1 pt-20 34.51 40.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 10' ' ' SER . 4.0 mm? -56.63 90.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.0 p -42.71 142.78 1.3 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 136.92 34.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.331 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.434 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -121.09 -72.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' O ' HD11 ' A' ' 25' ' ' LEU . 1.7 mp -103.85 -33.32 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.105 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -46.77 169.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -94.79 167.37 11.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -102.9 -28.93 11.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 54' ' ' PRO . 16.6 mt -90.63 -60.12 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.8 p -84.01 -21.02 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 60.53 47.64 8.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -152.66 159.34 28.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 13.2 m-85 -33.97 126.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.923 0.392 . . . . 0.0 110.922 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD13 HG21 ' A' ' 37' ' ' THR . 4.9 mt -69.77 102.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.76 -53.2 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 28' ' ' ALA . 17.0 m-20 -132.54 52.75 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HB1' HG23 ' A' ' 37' ' ' THR . . . -30.84 138.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' PHE . 95.6 m -125.42 96.17 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.0 m -72.36 114.99 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 33' ' ' GLU . 2.8 mt -72.42 157.64 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 32' ' ' THR . 19.1 m -100.06 -1.84 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.556 ' H ' HG22 ' A' ' 31' ' ' ILE . 18.3 tt0 -96.16 -70.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -92.28 -10.97 36.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 63.06 54.05 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -111.18 157.75 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.687 HG23 ' HB1' ' A' ' 28' ' ' ALA . 26.8 m -102.1 131.26 48.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 38.9 m-85 -153.05 129.49 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.536 ' O ' HG22 ' A' ' 43' ' ' ILE . 14.5 m -46.75 163.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 44' ' ' VAL . 19.5 tptm -67.63 -50.52 57.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.7 p -66.46 -47.23 73.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 55.2 m -55.24 -66.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 44' ' ' VAL . 10.9 tp -50.45 -47.97 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 40' ' ' LYS . 72.4 t -62.61 -33.49 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -78.99 -24.01 44.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 19.0 t60 -79.68 -35.37 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -69.97 -26.52 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -62.24 -47.22 85.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.81 -44.38 8.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' HIS . 7.8 m -127.01 108.02 10.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.27 -19.97 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 60.9 mtm180 -73.33 178.85 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 48.4 t -98.93 132.01 24.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.631 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.5 Cg_endo -69.81 11.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' CYS . 6.0 ttmt -118.88 -69.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 p -87.99 -12.14 45.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.1 m120 62.66 49.75 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.459 HD12 ' OE1' ' A' ' 33' ' ' GLU . 14.8 pt -116.12 132.79 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 59' ' ' VAL . 3.6 p -65.24 83.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.55 126.56 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -45.78 133.16 8.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -93.38 42.89 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.5 m -127.17 110.61 13.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -151.44 142.95 15.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.11 3.84 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.65 137.72 44.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.68 157.99 7.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.76 103.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -31.83 19.57 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -134.13 124.85 26.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.5 p -60.63 109.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.467 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -42.94 -38.74 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.813 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m 65.43 43.84 3.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.7 98.18 2.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -105.69 93.93 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -68.3 150.31 48.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.54 46.09 3.61 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -156.36 152.66 27.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.374 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -154.1 114.17 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -77.41 -62.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -92.01 111.17 22.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -80.09 97.08 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.2 p -130.33 124.73 21.38 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.562 0.696 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 5.13 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -80.08 40.34 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.47 -44.25 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -48.52 175.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -112.6 168.2 9.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 72.3 m -108.55 -24.13 11.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.43 -54.14 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -99.11 -13.73 19.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 55.78 42.02 29.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -139.35 155.19 23.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -39.37 140.86 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.907 HD23 ' SG ' ' A' ' 39' ' ' CYS . 7.9 mt -79.75 168.6 19.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.958 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.59 -58.56 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 9.1 t70 -91.47 -34.68 14.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.48 54.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.6 m -79.46 112.43 16.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.5 m -111.78 148.4 33.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.727 HD12 ' SG ' ' A' ' 34' ' ' CYS . 2.5 mt -86.41 158.69 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 32' ' ' THR . 41.1 m -98.0 -7.87 29.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE2' HD12 ' A' ' 58' ' ' ILE . 21.2 tt0 -89.62 -73.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.727 ' SG ' HD12 ' A' ' 31' ' ' ILE . 1.7 p -85.15 -15.68 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 4.5 mm? 62.91 54.49 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.609 ' CE1' ' HD3' ' A' ' 55' ' ' LYS . 25.5 m170 -111.73 133.07 54.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.5 m -83.64 133.71 34.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 36' ' ' HIS . 60.3 m-85 -152.98 126.12 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.907 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.0 m -43.7 146.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -50.91 -67.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 m -49.67 -43.35 47.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.9 m -58.11 -66.21 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 40' ' ' LYS . 10.2 tp -51.39 -31.5 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' LYS . 81.4 t -79.96 -31.99 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -77.19 -35.0 56.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 70.1 t60 -75.12 -31.82 61.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.478 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.9 m-85 -73.47 -22.05 60.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.36 -36.59 71.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -96.14 -42.32 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -126.76 115.79 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -77.09 45.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -148.42 167.1 26.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 14.0 t -79.9 127.71 76.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.743 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.71 7.56 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.38 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HD3' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -113.49 -70.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 3.5 p -85.6 -24.51 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.9 t-20 72.87 54.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.492 HD12 ' OE2' ' A' ' 33' ' ' GLU . 33.6 pt -119.81 146.59 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.59 109.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 58' ' ' ILE . 95.2 t -115.04 121.59 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -69.93 143.71 52.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -62.8 147.98 48.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.3 m -114.12 122.58 47.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -68.44 152.85 96.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.05 43.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.3 -178.7 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.7 p -159.49 127.75 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.07 121.45 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 107.03 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 m -134.31 133.22 40.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 m -150.96 164.29 36.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.479 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -172.86 115.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -160.49 169.07 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.01 37.81 1.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -150.17 144.41 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.84 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -85.49 166.03 16.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.66 -143.01 10.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -82.19 123.93 29.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.7 mm? -115.97 99.54 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 m -100.94 115.02 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -125.28 -28.82 3.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 mt -107.71 26.4 10.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 p -138.25 150.87 68.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.581 ' O ' HD12 ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.77 -175.93 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -88.7 78.85 7.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 14' ' ' PRO . 4.8 mp -76.96 -47.49 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 mt -49.15 172.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 t -97.36 168.06 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -103.19 -36.83 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.902 HD11 ' HG3' ' A' ' 54' ' ' PRO . 52.9 mt -81.82 -62.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -80.7 -23.17 39.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 60.25 45.73 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.42 169.61 26.96 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -43.74 131.84 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.919 0.39 . . . . 0.0 110.911 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.62 136.24 56.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -97.29 -65.89 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 2.1 m-20 -93.05 -28.12 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 52.19 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.4 m -80.85 96.61 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 61.0 m -90.31 140.82 29.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.6 HD12 ' SG ' ' A' ' 34' ' ' CYS . 3.9 mt -82.76 152.29 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 32' ' ' THR . 64.3 m -96.71 -12.45 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.576 ' H ' HG22 ' A' ' 31' ' ' ILE . 4.8 tp10 -81.33 -71.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 31' ' ' ILE . 26.6 p -85.31 -10.33 56.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 3.7 mm? 62.78 53.14 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 55' ' ' LYS . 48.6 m170 -117.62 145.83 44.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -91.36 131.32 36.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -153.18 129.27 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' O ' HG22 ' A' ' 43' ' ' ILE . 23.0 m -48.84 179.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.604 ' NZ ' HG21 ' A' ' 44' ' ' VAL . 22.7 tptp -80.25 -63.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.499 ' HA ' HG12 ' A' ' 44' ' ' VAL . 48.4 t -60.2 -19.8 55.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.7 m -78.54 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.596 HG13 ' CE2' ' A' ' 47' ' ' PHE . 10.5 tp -69.32 -39.06 78.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG21 ' NZ ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -67.55 -28.88 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 41' ' ' SER . 27.5 ttt180 -88.45 -48.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CD2' ' O ' ' A' ' 52' ' ' ARG . 30.8 t60 -48.48 -26.86 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CE2' HG13 ' A' ' 43' ' ' ILE . 9.6 m-85 -74.88 -31.64 61.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -62.52 -36.34 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -96.74 -44.51 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.6 t -128.99 115.81 18.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -77.36 42.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.485 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 67.5 mtt180 -144.11 177.02 8.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 23.2 t -95.12 130.37 32.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.902 ' HG3' HD11 ' A' ' 20' ' ' ILE . 54.3 Cg_endo -69.75 7.99 0.87 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HB3' ' ND1' ' A' ' 36' ' ' HIS . 4.7 ttmt -116.19 -68.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 57' ' ' ASN . 4.6 p -89.68 -19.85 24.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 47.6 t30 66.8 54.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.463 HG13 HG23 ' A' ' 60' ' ' VAL . 35.0 pt -116.08 137.85 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.41 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.463 HG23 HG13 ' A' ' 58' ' ' ILE . 97.8 t -87.89 131.75 34.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -60.49 176.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -130.66 107.54 9.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 45.7 p -126.25 150.12 48.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -132.9 152.65 80.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 168.14 22.38 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 tp -106.35 41.51 1.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -121.65 149.16 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' SER . . . -73.57 143.46 32.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 70' ' ' SER . 53.9 Cg_endo -69.79 11.8 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.331 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.517 ' C ' ' O ' ' A' ' 69' ' ' PRO . 20.9 t -28.05 96.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' PRO . 23.8 m -100.46 175.69 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -153.67 132.12 12.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -161.15 173.38 15.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.42 -175.67 30.63 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -143.18 144.46 32.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -150.49 177.08 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.73 175.31 42.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -123.99 170.88 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 9' ' ' LEU . 4.0 pp -120.88 131.88 54.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -73.75 172.33 11.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -106.92 35.39 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt -152.6 106.23 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.1 p -134.55 151.64 76.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 140.25 42.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.558 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 2.6 p90 -83.26 40.46 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.3 mm -106.0 95.8 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -153.34 -178.88 7.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -114.37 168.35 9.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 t -103.81 -35.44 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' A' ' 42' ' ' CYS . 17.3 mt -82.56 -64.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -81.84 -22.33 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 61.57 41.36 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -136.79 156.29 23.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 23' ' ' GLY . 14.8 m-85 -33.98 137.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.951 0.405 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 37' ' ' THR . 6.1 mt -81.96 131.49 35.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.35 -59.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 36.6 t0 -77.17 -46.68 22.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 74.98 48.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.9 m -79.71 102.46 9.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -96.49 141.71 29.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 32' ' ' THR . 47.2 mt -100.41 89.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 31' ' ' ILE . 98.6 m -31.79 -40.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HG2' HD12 ' A' ' 58' ' ' ILE . 5.5 tp10 -41.84 -56.85 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 p -118.36 15.01 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 44.25 44.85 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.657 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 34.4 m170 -110.05 129.74 55.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.664 HG21 HD13 ' A' ' 25' ' ' LEU . 20.3 m -84.84 141.4 30.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CZ ' ' HB3' ' A' ' 36' ' ' HIS . 61.1 m-85 -152.87 135.35 15.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.744 ' O ' HG22 ' A' ' 43' ' ' ILE . 10.6 m -61.5 140.21 58.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.0 tptm -47.05 -60.22 2.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -57.15 -43.66 82.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.447 ' HB3' HD12 ' A' ' 20' ' ' ILE . 90.0 m -61.6 -67.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 39' ' ' CYS . 7.2 tp -52.48 -44.95 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.196 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 40' ' ' LYS . 43.5 t -60.09 -45.22 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.5 ttt-85 -72.78 -28.83 62.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.559 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 84.9 t60 -67.92 -37.56 81.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' SER . 5.6 m-85 -66.69 -26.42 67.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.44 -39.6 91.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -91.22 -44.47 9.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 6.3 t -136.92 119.54 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -76.55 44.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -137.4 177.47 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 47.8 t -91.19 129.93 41.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.8 Cg_endo -69.75 4.33 2.25 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -109.91 -71.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.8 p -87.89 -25.21 23.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.1 m-20 73.36 51.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.6 HD12 ' HG2' ' A' ' 33' ' ' GLU . 47.8 pt -105.82 138.69 29.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.16 91.71 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.59 144.65 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -120.82 178.52 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 62.42 48.04 4.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.2 m -56.41 114.38 1.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.428 ' CD ' ' H ' ' A' ' 64' ' ' GLN . 3.1 mp0 -40.37 129.99 1.72 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.719 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 166.3 27.99 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 67' ' ' SER . 1.9 pp -83.12 27.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 66' ' ' LEU . 8.7 t -33.25 -49.21 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.94 102.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.34 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -77.57 131.72 37.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.2 m -155.18 111.46 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.494 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -135.94 159.61 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.937 0.399 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -149.41 164.72 34.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.13 133.26 3.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -171.91 134.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -122.07 153.03 39.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.49 -85.13 1.0 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.5 178.64 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.4 mp -109.4 143.55 38.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' GLU . 50.4 m -124.53 169.36 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' SER . 7.2 pt-20 -37.65 154.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.733 ' H ' HD23 ' A' ' 12' ' ' LEU . 2.4 pt? -90.19 133.22 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -146.47 145.84 25.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.553 0.692 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.87 2.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -83.63 30.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 mm -119.06 -56.89 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 mt -50.05 171.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 48.7 t -103.06 164.77 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 t -92.99 -31.67 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.24 -62.47 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -71.71 -30.99 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 60.0 mmtt 63.01 47.11 4.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -159.79 159.5 30.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' GLY . 30.8 m-85 -34.89 143.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -86.37 162.96 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.492 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.4 mp -114.99 -55.75 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 8.2 t0 -96.89 -35.96 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 70.71 54.63 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m -80.04 99.6 7.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.197 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.9 m -92.82 132.1 37.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.637 HG22 ' N ' ' A' ' 32' ' ' THR . 27.3 mt -70.46 168.76 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.637 ' N ' HG22 ' A' ' 31' ' ' ILE . 32.9 m -108.6 -38.23 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' CG ' HD12 ' A' ' 58' ' ' ILE . 11.8 tt0 -59.24 -72.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.9 p -86.33 -14.41 43.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 12.5 mt 64.03 53.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' HB2' HD12 ' A' ' 31' ' ' ILE . 37.6 m170 -109.22 164.78 12.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.3 m -111.14 129.62 55.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.178 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -153.71 131.12 11.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' SER . 5.4 m -48.92 122.97 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 11.9 tmtt? -39.03 -27.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' CYS . 4.0 m -79.36 -67.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.8 tp -56.02 -46.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.554 ' N ' HG23 ' A' ' 43' ' ' ILE . 30.0 t -72.19 -32.15 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' C ' ' HD2' ' A' ' 45' ' ' ARG . 4.9 tmm_? -69.08 -32.26 71.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -79.39 -30.87 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.546 ' CE1' ' HB ' ' A' ' 60' ' ' VAL . 8.1 m-85 -74.77 -26.17 59.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.54 -37.63 81.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -107.5 -45.1 4.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 55.0 m -105.85 105.13 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -74.47 47.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -155.05 157.85 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 46.0 t -74.94 127.63 86.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 9.5 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -112.79 -67.3 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.506 ' SG ' HG23 ' A' ' 58' ' ' ILE . 5.8 p -96.4 -16.17 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 8.5 m120 69.27 51.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.611 HG13 HG23 ' A' ' 60' ' ' VAL . 38.2 pt -110.38 152.86 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.57 100.29 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG23 HG13 ' A' ' 58' ' ' ILE . 86.5 t -114.71 81.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -89.56 162.52 15.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -135.45 168.46 19.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 65.0 p -132.76 117.35 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -103.0 134.79 19.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.711 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 156.17 64.06 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.3 mt -50.66 -48.4 58.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.8 m -116.88 157.92 24.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.69 -80.94 1.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 164.15 35.59 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.75 2.3 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 m -136.2 138.08 41.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.2 t -141.64 107.8 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.487 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 p -166.03 165.17 18.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.36 161.07 21.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.72 136.76 2.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -149.7 108.9 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.874 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -142.9 171.88 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.65 -165.7 13.51 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.43 ' C ' ' HG ' ' A' ' 9' ' ' LEU . 20.8 t30 -150.69 110.87 4.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.938 0.399 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 8' ' ' ASN . 6.4 mt -148.52 128.89 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t -157.34 125.48 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -134.2 127.86 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -68.56 134.67 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.8 p -60.24 148.57 78.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.556 0.693 . . . . 0.0 111.176 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 136.09 32.09 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.623 2.215 . . . . 0.0 112.359 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -84.54 -74.19 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.416 ' CG2' HD12 ' A' ' 25' ' ' LEU . 52.0 mt -145.15 105.02 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.7 mt -144.64 173.1 12.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.942 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 38.5 t -100.7 165.63 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.1 m -106.15 -28.98 10.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.1 mt -80.58 -63.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -87.06 -19.18 28.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 29.1 mmmt 62.85 39.45 10.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.22 -132.19 3.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -111.58 135.34 52.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 0.0 110.912 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.633 HD23 ' SG ' ' A' ' 39' ' ' CYS . 3.1 mt -78.36 112.78 15.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.29 -63.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 30.2 t70 -79.71 -36.59 37.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 72.4 54.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.694 HG22 ' O ' ' A' ' 38' ' ' PHE . 7.1 t -78.83 151.27 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.5 m -150.81 133.88 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.473 ' O ' ' C ' ' A' ' 32' ' ' THR . 13.7 mt -100.14 88.01 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.473 ' C ' ' O ' ' A' ' 31' ' ' ILE . 33.2 m -31.37 -43.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' THR . 8.4 tt0 -34.49 -50.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 p -117.02 -8.59 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 35' ' ' LEU . 10.2 mt 64.05 44.22 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.602 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 39.6 m170 -108.49 133.46 52.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 9.2 m -87.57 144.78 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.694 ' O ' HG22 ' A' ' 29' ' ' THR . 57.3 m-85 -152.54 163.21 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.633 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.4 m -91.04 158.24 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 44' ' ' VAL . 20.9 tptm -55.48 -63.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.0 m -57.0 -34.88 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.0 m -65.35 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.58 HG13 ' CE2' ' A' ' 47' ' ' PHE . 11.2 tp -59.61 -27.07 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 40' ' ' LYS . 75.5 t -82.98 -33.48 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -80.57 -31.77 36.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.569 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 75.1 t60 -76.28 -37.28 57.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 43' ' ' ILE . 2.4 m-85 -69.42 -18.08 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CD2' ' O ' ' A' ' 44' ' ' VAL . 3.3 m-85 -72.39 -44.62 62.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -95.58 -44.25 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -118.75 117.54 29.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -84.58 43.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 26.4 mtt180 -147.11 157.24 43.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 19.5 t -67.49 124.13 88.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.5 Cg_endo -69.79 7.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -108.63 -70.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.4 p -88.9 -14.08 37.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 12.4 m120 71.85 50.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.4 pt -117.08 133.55 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.51 ' N ' ' HG2' ' A' ' 52' ' ' ARG . 7.2 p -75.25 115.87 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.8 143.19 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -46.71 107.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -93.09 177.09 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 m -101.32 108.36 19.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.457 ' CD ' ' HD2' ' A' ' 65' ' ' PRO . 8.1 tp60 -103.35 141.84 23.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.568 0.699 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 64' ' ' GLN . 54.1 Cg_endo -69.76 -165.76 0.16 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.32 -47.68 55.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -64.61 103.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 70' ' ' SER . . . 172.76 -147.22 9.62 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 12.63 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 68' ' ' GLY . 15.8 m -85.91 -60.87 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.5 p -84.0 87.36 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.494 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -85.03 -57.84 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -169.21 174.53 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.17 -129.74 5.73 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -173.65 157.85 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -139.48 171.76 13.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.93 176.14 31.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -174.39 111.38 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.1 mt -142.12 156.67 45.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.6 t -171.64 154.74 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.49 4.86 36.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.1 mm? -97.9 176.08 5.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 p -40.18 116.29 1.22 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 3.53 2.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.306 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' ILE . 40.5 m-85 -72.45 -49.88 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' TYR . 1.8 mp -33.89 -51.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.189 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.3 mt -53.85 177.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 t -113.72 167.45 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.05 -24.82 13.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 42' ' ' CYS . 28.9 mt -93.74 -64.3 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.34 -15.49 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt 56.33 42.8 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.66 161.22 25.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -45.83 145.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.834 HD23 ' SG ' ' A' ' 39' ' ' CYS . 4.8 mt -87.8 147.73 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 26' ' ' ILE . 4.9 mp -105.55 -54.13 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 1.4 t70 -91.33 -33.57 15.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 67.97 54.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.2 m -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.0 m -110.41 135.74 50.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 32' ' ' THR . 20.4 mt -73.03 168.91 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 31' ' ' ILE . 89.0 m -108.69 -39.02 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' ' 58' ' ' ILE . 3.0 tp10 -54.91 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.8 p -87.71 -22.97 24.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 tp 72.53 52.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 36.9 m170 -111.98 141.59 45.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.9 m -87.36 131.12 34.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -153.66 136.45 15.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.834 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.8 m -55.19 126.35 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 27' ' ' ASP . 0.0 OUTLIER -38.21 -50.95 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.8 m -62.63 -46.67 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.502 ' HB3' HD12 ' A' ' 20' ' ' ILE . 20.0 m -58.51 -62.76 1.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.1 tp -48.52 -39.21 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -75.37 -33.26 27.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 45' ' ' ARG . 6.4 ttp85 -76.12 -25.5 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -79.08 -28.05 43.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' HG13 ' A' ' 43' ' ' ILE . 11.0 m-85 -70.31 -25.77 63.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -65.23 -39.78 93.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -92.51 -43.05 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 48.1 t -132.91 116.87 16.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -76.02 43.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -142.8 -178.35 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 34.4 t -95.41 132.38 27.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.612 0.72 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.66 5.4 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.394 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 7.4 ttmt -115.78 -70.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.2 p -87.18 -26.78 23.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 5.5 m-20 75.07 54.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' ' 33' ' ' GLU . 32.2 pt -116.25 134.01 60.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.63 94.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 58' ' ' ILE . 69.4 t -89.03 88.87 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -81.3 43.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -101.7 158.87 15.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 63' ' ' THR . 11.5 m 67.33 45.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.441 ' CD ' ' H ' ' A' ' 64' ' ' GLN . 3.8 pm0 -84.35 138.24 39.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.31 35.29 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.8 tp -59.59 109.59 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.5 p -59.44 125.39 23.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.15 171.13 36.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 2.08 3.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.675 2.25 . . . . 0.0 112.334 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.1 p -116.64 133.45 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -135.01 126.47 28.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.456 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -140.98 144.83 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -172.78 147.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.43 149.73 21.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -150.98 143.14 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -131.32 103.24 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.76 44.25 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -99.67 135.54 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -174.09 156.09 2.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.8 m -148.71 123.55 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -145.14 115.27 7.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.5 mt -96.85 76.81 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.2 p -142.03 154.7 65.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 124.97 11.64 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.38 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -96.09 121.05 37.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.9 mt -76.62 -26.77 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.08 177.02 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' CB ' ' SG ' ' A' ' 21' ' ' CYS . 10.2 t -108.53 168.28 9.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -102.79 -33.13 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.727 HD11 ' HG3' ' A' ' 54' ' ' PRO . 22.6 mt -87.39 -59.66 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' CB ' ' A' ' 18' ' ' CYS . 19.4 p -80.57 -19.44 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt 58.61 47.69 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -150.25 -152.58 5.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -62.75 127.42 31.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.961 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HA ' ' SG ' ' A' ' 39' ' ' CYS . 17.8 mt -67.47 85.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 39' ' ' CYS . 8.3 mt -70.78 126.72 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' C ' ' A' ' 28' ' ' ALA . 32.1 t0 42.56 41.19 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -24.92 130.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.0 m -130.49 109.5 10.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.0 m -88.08 153.12 21.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.493 HD12 ' SG ' ' A' ' 34' ' ' CYS . 69.9 mt -95.08 145.27 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 32' ' ' THR . 5.8 m -86.46 27.83 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 31' ' ' ILE . 4.5 tm-20 -135.01 -68.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.493 ' SG ' HD12 ' A' ' 31' ' ' ILE . 1.7 p -89.11 -9.05 52.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 mt 58.85 47.12 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 38' ' ' PHE . 31.3 m170 -104.14 125.68 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.585 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 86.0 m -81.6 126.74 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 37' ' ' THR . 28.8 m-85 -151.47 127.04 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 43' ' ' ILE . 8.3 m -34.45 142.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.477 ' CB ' ' HB3' ' A' ' 27' ' ' ASP . 8.6 tmtt? -61.15 -34.67 75.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 m -76.77 -34.72 57.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.3 m -68.83 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 47' ' ' PHE . 7.6 tp -48.93 -45.42 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.491 ' N ' HG23 ' A' ' 43' ' ' ILE . 39.8 t -65.17 -42.73 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 -65.42 -38.92 91.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -71.72 -29.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CE2' HG13 ' A' ' 43' ' ' ILE . 3.0 m-85 -71.0 -24.74 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -70.1 -40.06 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -90.26 -43.59 10.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.9 t -127.02 118.23 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -77.23 44.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -145.83 171.41 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 40.2 t -84.05 129.57 58.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.727 ' HG3' HD11 ' A' ' 20' ' ' ILE . 53.5 Cg_endo -69.77 9.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.335 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD2' ' CE1' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -116.23 -68.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.9 p -92.79 -14.55 27.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 3.8 m120 63.27 55.02 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.459 HG13 HG23 ' A' ' 60' ' ' VAL . 45.4 pt -111.84 154.02 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.586 HG12 ' HB3' ' A' ' 62' ' ' GLN . 71.2 t -77.33 98.03 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 58' ' ' ILE . 95.6 t -100.09 -51.36 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.459 ' O ' ' C ' ' A' ' 62' ' ' GLN . 3.0 t-160 -61.1 -43.57 98.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.586 ' HB3' HG12 ' A' ' 59' ' ' VAL . 13.5 pt20 32.99 44.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.8 m -123.73 110.87 15.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -43.52 132.78 3.68 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 153.72 68.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.8 pp -110.51 133.81 52.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.3 m -59.32 -52.14 66.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' HA2' ' HD2' ' A' ' 69' ' ' PRO . . . -37.64 107.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.426 ' HD2' ' HA2' ' A' ' 68' ' ' GLY . 53.9 Cg_endo -69.74 -173.96 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.381 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -103.72 124.45 48.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.8 t -85.39 -58.63 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.481 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -125.26 147.81 48.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 110.877 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -169.19 162.73 10.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.12 149.88 6.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -104.34 114.74 29.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -86.19 -48.12 8.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 161.05 45.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -136.22 167.62 20.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.681 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.6 pt? -88.98 130.93 35.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -134.33 80.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -157.39 105.21 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.26 103.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.4 p -132.88 149.76 73.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 85.78 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -53.26 101.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 25' ' ' LEU . 56.9 mt -65.79 99.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -153.33 178.53 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -109.32 166.42 10.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.6 m -105.17 -30.95 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.2 mt -83.72 -64.45 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.7 p -88.04 -20.47 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 59.41 47.28 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.09 -155.95 9.44 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -91.44 125.36 36.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 16' ' ' ILE . 13.9 mt -67.26 85.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.0 tp -60.87 -38.87 80.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.521 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -104.57 -36.32 7.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.48 55.03 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.8 m -85.33 124.04 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 36' ' ' HIS . 67.3 m -113.26 149.94 33.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.751 HG22 ' H ' ' A' ' 33' ' ' GLU . 17.0 mt -78.85 148.98 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 32' ' ' THR . 56.9 m -92.76 2.63 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.751 ' H ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -102.8 -72.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.704 ' SG ' HD12 ' A' ' 31' ' ' ILE . 17.6 p -84.37 -12.29 54.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 31' ' ' ILE . 3.5 mm? 62.79 51.8 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.504 ' CG ' ' HD3' ' A' ' 55' ' ' LYS . 46.1 m170 -110.97 140.63 45.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 m -84.4 128.2 34.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CZ ' ' HD2' ' A' ' 55' ' ' LYS . 31.5 m-85 -152.97 117.56 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.53 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.6 m -37.81 131.96 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB2' ' CB ' ' A' ' 27' ' ' ASP . 11.1 tmtt? -43.47 -52.1 6.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.0 m -61.26 -45.15 95.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.808 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 m -59.11 -66.34 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.561 HG13 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -46.67 -41.72 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 t -71.46 -35.05 55.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.455 ' O ' ' CD2' ' A' ' 49' ' ' TYR . 24.2 ttt180 -75.03 -27.87 60.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.46 ' CD2' ' HD3' ' A' ' 54' ' ' PRO . 61.1 t60 -81.28 -26.49 35.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 60' ' ' VAL . 4.5 m-85 -75.24 -27.05 59.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -65.51 -36.68 84.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.455 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 16.4 m-85 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -125.04 112.18 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -75.68 47.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 28.7 mtt85 -147.75 177.65 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 17.5 t -95.24 125.79 48.78 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' HD3' ' CD2' ' A' ' 46' ' ' HIS . 53.7 Cg_endo -69.78 10.45 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HD3' ' CG ' ' A' ' 36' ' ' HIS . 1.8 tttt -114.56 -70.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.406 ' SG ' HG23 ' A' ' 58' ' ' ILE . 4.9 p -90.72 -7.12 53.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 4.9 m-20 62.69 52.92 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG23 ' SG ' ' A' ' 56' ' ' CYS . 26.4 pt -117.73 137.86 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.5 p -69.47 110.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 47' ' ' PHE . 69.8 t -105.71 116.62 49.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.41 ' CD2' ' H ' ' A' ' 61' ' ' HIS . 0.4 OUTLIER -110.63 75.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -160.33 122.44 3.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.5 m -86.78 -52.64 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -154.56 151.81 24.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.28 30.07 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 pp -46.19 -39.82 10.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -83.88 80.7 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.96 101.24 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 107.07 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.5 m -49.87 107.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.4 t -137.39 140.04 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.51 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t 67.03 42.66 2.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 m -144.03 174.6 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.44 125.38 2.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -159.11 119.0 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.7 p -172.08 136.67 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.99 54.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.54 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -128.96 102.17 6.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.3 pp -145.39 127.41 15.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -167.21 107.44 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -122.65 132.79 54.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.42 105.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.3 p -131.09 153.4 81.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.562 0.696 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 172.88 11.81 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.637 2.225 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.601 ' O ' ' CD2' ' A' ' 15' ' ' TYR . 17.5 p90 -78.08 47.2 0.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.0 mm -111.15 -44.07 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.8 176.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 t -107.4 166.08 10.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.4 p -107.82 -26.36 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 38' ' ' PHE . 4.4 mp -83.25 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -92.54 -19.49 21.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 61.52 48.42 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 24' ' ' TYR . . . -150.16 152.75 24.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' GLY . 6.6 m-85 -34.52 131.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.372 . . . . 0.0 110.939 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.677 HD23 ' SG ' ' A' ' 39' ' ' CYS . 10.9 mt -65.57 158.4 27.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.1 mp -111.68 -69.48 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.539 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 5.5 m-20 -83.42 -33.83 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' ASP . . . 73.5 51.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.6 m -80.81 98.41 7.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.453 HG23 ' C ' ' A' ' 36' ' ' HIS . 87.2 m -99.53 137.48 37.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.649 HG22 ' H ' ' A' ' 33' ' ' GLU . 7.4 mt -76.66 158.32 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 31' ' ' ILE . 32.7 m -101.15 -19.62 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.649 ' H ' HG22 ' A' ' 31' ' ' ILE . 14.4 tt0 -72.26 -71.13 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.9 p -86.98 -10.35 53.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 5.9 mp 62.36 54.41 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.453 ' C ' HG23 ' A' ' 30' ' ' THR . 36.1 m170 -117.85 135.74 53.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.3 m -85.94 138.02 32.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 40.6 m-85 -153.01 151.0 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.677 ' SG ' HD23 ' A' ' 25' ' ' LEU . 8.2 m -71.08 128.9 37.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -40.21 -48.9 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 p -65.07 -49.84 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.7 m -57.37 -65.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 44' ' ' VAL . 9.9 tp -42.0 -45.21 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' N ' HG23 ' A' ' 43' ' ' ILE . 42.1 t -71.48 -34.8 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.5 ttp85 -72.21 -27.08 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 54' ' ' PRO . 29.0 t60 -81.53 -30.32 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.499 ' CE2' HG13 ' A' ' 43' ' ' ILE . 6.6 m-85 -70.59 -24.96 62.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -64.31 -44.76 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -92.37 -44.27 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 5.8 t -124.22 111.95 16.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -76.02 44.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' NH1' ' CG2' ' A' ' 59' ' ' VAL . 42.9 mtt-85 -145.72 172.36 13.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ASN . 21.5 t -84.59 130.19 54.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.541 ' HG2' ' CZ ' ' A' ' 38' ' ' PHE . 53.5 Cg_endo -69.78 8.15 0.84 Allowed 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.736 2.29 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 2.1 tptt -115.8 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.405 ' SG ' HG12 ' A' ' 58' ' ' ILE . 3.3 p -87.75 -17.71 31.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 53' ' ' CYS . 11.9 m120 64.73 54.86 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG12 ' SG ' ' A' ' 56' ' ' CYS . 46.0 pt -113.71 154.79 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.477 ' CG2' ' NH1' ' A' ' 52' ' ' ARG . 60.6 t -77.68 94.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.89 98.53 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -149.67 109.52 4.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -56.23 95.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 63' ' ' THR . 9.7 t -49.51 120.75 4.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.425 ' C ' ' H ' ' A' ' 66' ' ' LEU . 8.3 tp60 -167.05 139.08 2.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.692 ' HG2' HD23 ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.71 12.09 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.38 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD23 ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -171.13 109.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 m -57.05 167.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.05 70.78 0.44 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.58 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.9 t 47.23 40.93 11.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -133.43 153.47 51.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_